N-(4-azanylcyclohexyl)-N-[[3-(3-benzamido-4-morpholin-4-yl-phenyl)phenyl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[3-(3-benzamido-4-morpholin-4-yl-phenyl)phenyl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[3-(3-benzamido-4-morpholino-phenyl)phenyl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[3-[3-benzamido-4-(4-morpholinyl)phenyl]phenyl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[3-(3-benzamido-4-morpholin-4-ylphenyl)phenyl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[3-(3-benzamido-4-morpholino-phenyl)benzyl]-3,4-dimethoxy-benzamide Formula: C39H44N4O5 MolecularWeight: 648.79046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=CC=C5)C6CCC(CC6)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=CC=C5)C6CCC(CC6)N)OC

InChI

InChI=1S/C39H44N4O5/c1-46-36-18-12-31(25-37(36)47-2)39(45)43(33-15-13-32(40)14-16-33)26-27-7-6-10-29(23-27)30-11-17-35(42-19-21-48-22-20-42)34(24-30)41-38(44)28-8-4-3-5-9-28/h3-12,17-18,23-25,32-33H,13-16,19-22,26,40H2,1-2H3,(H,41,44)