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(E)-3-Benzyloxy-5-nitro-1-{5-[4-(3-phenyl-2-propenyl)piperazine-1-yl]-3-oxapentyl}-1H-indazole
SpectraBase Compound ID FuJ2BF9SG9L
InChI InChI=1S/C31H35N5O4/c37-36(38)28-13-14-30-29(24-28)31(40-25-27-10-5-2-6-11-27)32-35(30)21-23-39-22-20-34-18-16-33(17-19-34)15-7-12-26-8-3-1-4-9-26/h1-14,24H,15-23,25H2/b12-7+
InChIKey BVJGLTBEYDJFOS-KPKJPENVSA-N
Mol Weight 541.7 g/mol
Molecular Formula C31H35N5O4
Exact Mass 541.268905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKvzWtWan4J
Name (E)-3-Benzyloxy-5-nitro-1-{5-[4-(3-phenyl-2-propenyl)piperazine-1-yl]-3-oxapentyl}-1H-indazole
Alternate Name(s) 5-Nitro-3-phenylmethoxy-1-[2-[2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethoxy]ethyl]indazole 3-Benzyloxy-1-[2-[2-[4-[(E)-cinnamyl]piperazin-1-yl]ethoxy]ethyl]-5-nitro-indazole 5-Nitro-3-phenylmethoxy-1-[2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]ethyl]indazole
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Formula C31H35N5O4
InChI InChI=1S/C31H35N5O4/c37-36(38)28-13-14-30-29(24-28)31(40-25-27-10-5-2-6-11-27)32-35(30)21-23-39-22-20-34-18-16-33(17-19-34)15-7-12-26-8-3-1-4-9-26/h1-14,24H,15-23,25H2/b12-7+
InChIKey BVJGLTBEYDJFOS-KPKJPENVSA-N
Molecular Weight 541.652 g/mol
SMILES c12c(n[n](c2ccc(N(=O)=O)c1)CCOCCN1CCN(C\C=C\c2ccccc2)CC1)OCc1ccccc1
SPLASH splash10-014i-5790220000-ce016e5441c8ebba7da9
Source of Spectrum F2-45-2162-32
Wiley ID 1689135