4-(azepan-1-yl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[4-[(2-diethylaminoethylamino)-oxomethyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-3-nitro-benzamide Formula: C26H35N5O4 MolecularWeight: 481.5872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C26H35N5O4/c1-3-29(4-2)18-15-27-25(32)20-9-12-22(13-10-20)28-26(33)21-11-14-23(24(19-21)31(34)35)30-16-7-5-6-8-17-30/h9-14,19H,3-8,15-18H2,1-2H3,(H,27,32)(H,28,33)