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

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

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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)N4CCNCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)[N+](=O)[O-])OC

InChI

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