1,4-diazepan-1-yl-[4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-nitro-phenyl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrophenyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-nitrophenyl]methanone Traditional Name: 1,4-diazepan-1-yl-[3-nitro-4-(4-veratroylpiperazino)phenyl]methanone Formula: C25H31N5O6 MolecularWeight: 497.54354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H31N5O6/c1-35-22-7-5-19(17-23(22)36-2)25(32)29-14-12-27(13-15-29)20-6-4-18(16-21(20)30(33)34)24(31)28-10-3-8-26-9-11-28/h4-7,16-17,26H,3,8-15H2,1-2H3