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

Systemtic Name: 1,4-diazepan-1-yl-[4-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-3-nitro-phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-nitro-phenyl]methanone CAS Name: 1,4-diazepan-1-yl-[4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-nitrophenyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-nitrophenyl]methanone Traditional Name: 1,4-diazepan-1-yl-[3-nitro-4-(4-veratroyl-1,4-diazepan-1-yl)phenyl]methanone Formula: C26H33N5O6 MolecularWeight: 511.57012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C26H33N5O6/c1-36-23-8-6-20(18-24(23)37-2)26(33)30-13-4-12-28(15-16-30)21-7-5-19(17-22(21)31(34)35)25(32)29-11-3-9-27-10-14-29/h5-8,17-18,27H,3-4,9-16H2,1-2H3