N-[4-(azepan-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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