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

Systemtic Name: 4-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-morpholinophenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-morpholinophenyl)-3-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c28-23(24-19-7-3-4-8-20(19)26-13-15-31-16-14-26)18-9-10-21(22(17-18)27(29)30)25-11-5-1-2-6-12-25/h3-4,7-10,17H,1-2,5-6,11-16H2,(H,24,28)