N-(1-cyclohexylethyl)-2-phenyl-3-[[4-(phenylcarbonyl)piperidin-1-yl]methyl]quinoline-4-carboxamide

Systemtic Name: N-(1-cyclohexylethyl)-2-phenyl-3-[[4-(phenylcarbonyl)piperidin-1-yl]methyl]quinoline-4-carboxamide Openeye Name: 3-[(4-benzoyl-1-piperidyl)methyl]-N-(1-cyclohexylethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: 3-[(4-benzoyl-1-piperidinyl)methyl]-N-(1-cyclohexylethyl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-[(4-benzoylpiperidin-1-yl)methyl]-N-(1-cyclohexylethyl)-2-phenylquinoline-4-carboxamide Traditional Name: 3-[(4-benzoylpiperidino)methyl]-N-(1-cyclohexylethyl)-2-phenyl-cinchoninamide Formula: C37H41N3O2 MolecularWeight: 559.74034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)C(=O)C6=CC=CC=C6

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCC(CC5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C37H41N3O2/c1-26(27-13-5-2-6-14-27)38-37(42)34-31-19-11-12-20-33(31)39-35(28-15-7-3-8-16-28)32(34)25-40-23-21-30(22-24-40)36(41)29-17-9-4-10-18-29/h3-4,7-12,15-20,26-27,30H,2,5-6,13-14,21-25H2,1H3,(H,38,42)