4-(azepan-1-yl)-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-N-methyl-3-nitro-benzamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C24H30N4O4/c1-17-9-8-10-20(18(17)2)25-23(29)16-26(3)24(30)19-11-12-21(22(15-19)28(31)32)27-13-6-4-5-7-14-27/h8-12,15H,4-7,13-14,16H2,1-3H3,(H,25,29)