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4-[[3-[6-[1-(4-carbomethoxybenzyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoic acid methyl ester
SpectraBase Compound ID Cnhy1572lOP
InChI InChI=1S/C37H37N5O4/c1-45-36(43)26-18-14-24(15-19-26)22-41-32-12-5-3-8-28(32)34(39-41)30-10-7-11-31(38-30)35-29-9-4-6-13-33(29)42(40-35)23-25-16-20-27(21-17-25)37(44)46-2/h7,10-11,14-21H,3-6,8-9,12-13,22-23H2,1-2H3
InChIKey JVMIINWIQGCQEN-UHFFFAOYSA-N
Mol Weight 615.7 g/mol
Molecular Formula C37H37N5O4
Exact Mass 615.284555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ucwS7QxEzE
Name 4-[[3-[6-[1-(4-carbomethoxybenzyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoic acid methyl ester
Alternate Name(s) 4-[[3-[6-[1-[(4-methoxycarbonylphenyl)methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoic acid methyl ester Methyl 4-[[3-[6-[1-[(4-methoxycarbonylphenyl)methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoate Methyl 4-[[3-[6-[1-[(4-methoxycarbonylphenyl)methyl]-4,5,6,7-tetrahydroindazol-3-yl]pyridin-2-yl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoate
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Formula C37H37N5O4
InChI InChI=1S/C37H37N5O4/c1-45-36(43)26-18-14-24(15-19-26)22-41-32-12-5-3-8-28(32)34(39-41)30-10-7-11-31(38-30)35-29-9-4-6-13-33(29)42(40-35)23-25-16-20-27(21-17-25)37(44)46-2/h7,10-11,14-21H,3-6,8-9,12-13,22-23H2,1-2H3
InChIKey JVMIINWIQGCQEN-UHFFFAOYSA-N
Molecular Weight 615.734 g/mol
SMILES c12[n](nc(c1CCCC2)-c1nc(-c2n[n](Cc3ccc(C(=O)OC)cc3)c3c2CCCC3)ccc1)Cc1ccc(C(=O)OC)cc1
SPLASH splash10-00lg-9132000000-2593dde2f56d1fa991a5
Source of Spectrum J-63-238-1
Wiley ID 1411272