4-(azepan-1-yl)-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-propyl-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-propyl-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(2-methylanilino)-2-oxo-ethyl]-3-nitro-N-propyl-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(2-methylanilino)-2-oxoethyl]-3-nitro-N-propylbenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-3-nitro-N-propylbenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-keto-2-(o-toluidino)ethyl]-3-nitro-N-propyl-benzamide Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O4/c1-3-14-28(18-24(30)26-21-11-7-6-10-19(21)2)25(31)20-12-13-22(23(17-20)29(32)33)27-15-8-4-5-9-16-27/h6-7,10-13,17H,3-5,8-9,14-16,18H2,1-2H3,(H,26,30)