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

Systemtic Name: 4-(azepan-1-yl)-N-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(4-methoxyanilino)-2-oxo-ethyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-3-nitro-benzamide Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-25(16-22(28)24-18-8-10-19(32-2)11-9-18)23(29)17-7-12-20(21(15-17)27(30)31)26-13-5-3-4-6-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28)