N-[5-[3-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-2-morpholin-4-yl-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[5-[3-[[(4-azanylcyclohexyl)-cyclopropylcarbonyl-amino]methyl]phenyl]-2-morpholin-4-yl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholino-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[5-[3-[[(4-aminocyclohexyl)-[cyclopropyl(oxo)methyl]amino]methyl]phenyl]-2-(4-morpholinyl)phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholin-4-ylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[5-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-2-morpholino-phenyl]-3,4-dimethoxy-benzamide Formula: C36H44N4O5 MolecularWeight: 612.75836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5CC5)N6CCOCC6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC(=CC=C3)CN(C4CCC(CC4)N)C(=O)C5CC5)N6CCOCC6)OC

InChI

InChI=1S/C36H44N4O5/c1-43-33-15-9-28(22-34(33)44-2)35(41)38-31-21-27(8-14-32(31)39-16-18-45-19-17-39)26-5-3-4-24(20-26)23-40(36(42)25-6-7-25)30-12-10-29(37)11-13-30/h3-5,8-9,14-15,20-22,25,29-30H,6-7,10-13,16-19,23,37H2,1-2H3,(H,38,41)