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1H-Indole-2-carboxylic acid, 5-fluoro-, N'-[5-[4,5-dihydro-3-(4-methoxyphenyl)-5-methyl-5-isoxazolyl]-2-methyl-2-cyclohexenyliden]hydrazide
SpectraBase Compound ID 1JYM4fkKNjI
InChI InChI=1S/C27H27FN4O3/c1-16-4-7-19(27(2)15-25(32-35-27)17-5-9-21(34-3)10-6-17)14-23(16)30-31-26(33)24-13-18-12-20(28)8-11-22(18)29-24/h4-6,8-13,19,29H,7,14-15H2,1-3H3,(H,31,33)/b30-23-/t19-,27?/m0/s1
InChIKey KTLIHWUTBYFXDM-CYPITKKESA-N
Mol Weight 474.54 g/mol
Molecular Formula C27H27FN4O3
Exact Mass 474.206719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LWBKR9oFXh
Name 1H-Indole-2-carboxylic acid, 5-fluoro-, N'-[5-[4,5-dihydro-3-(4-methoxyphenyl)-5-methyl-5-isoxazolyl]-2-methyl-2-cyclohexenyliden]hydrazide
Alternate Name(s) 5-Fluoro-N'-[(1Z,5S)-5-[3-(4-methoxyphenyl)-5-methyl-4,5-dihydro-1,2-oxazol-5-yl]-2-methylcyclohex-2-en-1-ylidene]-1H-indole-2-carbohydrazide 5-Fluoro-N-[(Z)-[(5S)-5-[3-(4-methoxyphenyl)-5-methyl-4H-isoxazol-5-yl]-2-methyl-1-cyclohex-2-enylidene]amino]-1H-indole-2-carboxamide 5-Fluoro-N-[(Z)-[(5S)-5-[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-2-methylcyclohex-2-en-1-ylidene]amino]-1H-indole-2-carboxamide 5-Fluoro-N-[(Z)-[(5S)-5-[3-(4-methoxyphenyl)-5-methyl-4H-isoxazol-5-yl]-2-methyl-cyclohex-2-en-1-ylidene]amino]-1H-indole-2-carboxamide 5-Fluoranyl-N-[(Z)-[(5S)-5-[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-2-methyl-cyclohex-2-en-1-ylidene]amino]-1H-indole-2-carboxamide
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Formula C27H27FN4O3
InChI InChI=1S/C27H27FN4O3/c1-16-4-7-19(27(2)15-25(32-35-27)17-5-9-21(34-3)10-6-17)14-23(16)30-31-26(33)24-13-18-12-20(28)8-11-22(18)29-24/h4-6,8-13,19,29H,7,14-15H2,1-3H3,(H,31,33)/b30-23-/t19-,27?/m0/s1
InChIKey KTLIHWUTBYFXDM-CYPITKKESA-N
Molecular Weight 474.536 g/mol
SMILES [nH]1c2ccc(cc2cc1C(N\N=C/1C(=CC[C@](C2(ON=C(C2)c2ccc(cc2)OC)C)(C1)[H])C)=O)F
SPLASH splash10-0bt9-4910000000-4130ebf30bbc5c7a7660
Source of Spectrum IY-2-5039-5
Wiley ID 1658378