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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[[[1-(phenylmethyl)piperidin-4-yl]amino]methyl]quinoline-4-carboxamide Openeye Name: 3-[[(1-benzyl-4-piperidyl)amino]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]-4-quinolinecarboxamide IUPAC Name: 3-[[(1-benzylpiperidin-4-yl)amino]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-[[(1-benzyl-4-piperidyl)amino]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-cinchoninamide Formula: C37H44N4O MolecularWeight: 560.77146

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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)CNC5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CNC5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C37H44N4O/c1-27(29-15-7-3-8-16-29)39-37(42)35-32-19-11-12-20-34(32)40-36(30-17-9-4-10-18-30)33(35)25-38-31-21-23-41(24-22-31)26-28-13-5-2-6-14-28/h2,4-6,9-14,17-20,27,29,31,38H,3,7-8,15-16,21-26H2,1H3,(H,39,42)/t27-/m0/s1