N-(1-ethylazepan-3-yl)-2-methoxy-5-nitro-4-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(1-ethylazepan-3-yl)-2-methoxy-5-nitro-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-(1-ethylazepan-3-yl)-2-methoxy-5-nitro-benzamide CAS Name: N-(1-ethyl-3-azepanyl)-2-methoxy-5-nitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-N-(1-ethylazepan-3-yl)-2-methoxy-5-nitrobenzamide Traditional Name: 4-(benzylamino)-N-(1-ethylazepan-3-yl)-2-methoxy-5-nitro-benzamide Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCC(C1)NC(=O)C2=CC(=C(C=C2OC)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1CCCCC(C1)NC(=O)C2=CC(=C(C=C2OC)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O4/c1-3-26-12-8-7-11-18(16-26)25-23(28)19-13-21(27(29)30)20(14-22(19)31-2)24-15-17-9-5-4-6-10-17/h4-6,9-10,13-14,18,24H,3,7-8,11-12,15-16H2,1-2H3,(H,25,28)