N-(4-azanylcyclohexyl)-N-[[3-(4-morpholin-4-yl-3-nitro-phenyl)phenyl]methyl]-2-phenyl-ethanamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-(4-morpholin-4-yl-3-nitro-phenyl)phenyl]methyl]-2-phenyl-ethanamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-(4-morpholino-3-nitro-phenyl)phenyl]methyl]-2-phenyl-acetamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[4-(4-morpholinyl)-3-nitrophenyl]phenyl]methyl]-2-phenylacetamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-(4-morpholin-4-yl-3-nitrophenyl)phenyl]methyl]-2-phenylacetamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-(4-morpholino-3-nitro-phenyl)benzyl]-2-phenyl-acetamide Formula: C31H36N4O4 MolecularWeight: 528.64194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H36N4O4/c32-27-10-12-28(13-11-27)34(31(36)20-23-5-2-1-3-6-23)22-24-7-4-8-25(19-24)26-9-14-29(30(21-26)35(37)38)33-15-17-39-18-16-33/h1-9,14,19,21,27-28H,10-13,15-18,20,22,32H2