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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c28-23(24-19-6-8-20(9-7-19)25-13-15-31-16-14-25)18-5-10-21(22(17-18)27(29)30)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16H2,(H,24,28)