N-(2-aminocarbonylphenyl)-4-(azepan-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-aminocarbonylphenyl)-4-(azepan-1-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-carbamoylphenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-carbamoylphenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-carbamoylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-carbamoylphenyl)-3-nitro-benzamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c21-19(25)15-7-3-4-8-16(15)22-20(26)14-9-10-17(18(13-14)24(27)28)23-11-5-1-2-6-12-23/h3-4,7-10,13H,1-2,5-6,11-12H2,(H2,21,25)(H,22,26)