N-(3-azanylpropyl)-3,4-dimethoxy-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide

Systemtic Name: N-(3-azanylpropyl)-3,4-dimethoxy-N-[[3-[(4-nitrophenyl)carbonylamino]phenyl]methyl]benzamide Openeye Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide CAS Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]methyl]benzamide IUPAC Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[[3-[(4-nitrobenzoyl)amino]phenyl]methyl]benzamide Traditional Name: N-(3-aminopropyl)-3,4-dimethoxy-N-[3-[(4-nitrobenzoyl)amino]benzyl]benzamide Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CCCN)CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C26H28N4O6/c1-35-23-12-9-20(16-24(23)36-2)26(32)29(14-4-13-27)17-18-5-3-6-21(15-18)28-25(31)19-7-10-22(11-8-19)30(33)34/h3,5-12,15-16H,4,13-14,17,27H2,1-2H3,(H,28,31)