3-[[4-(cyanomethyl)piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 3-[[4-(cyanomethyl)piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-[[4-(cyanomethyl)piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 3-[[4-(cyanomethyl)-1-piperazinyl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-[[4-(cyanomethyl)piperazin-1-yl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenylquinoline-4-carboxamide Traditional Name: 3-[[4-(cyanomethyl)piperazino]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-cinchoninamide Formula: C31H37N5O MolecularWeight: 495.65838

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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)CN5CCN(CC5)CC#N

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)CC#N

InChI

InChI=1S/C31H37N5O/c1-23(24-10-4-2-5-11-24)33-31(37)29-26-14-8-9-15-28(26)34-30(25-12-6-3-7-13-25)27(29)22-36-20-18-35(17-16-32)19-21-36/h3,6-9,12-15,23-24H,2,4-5,10-11,17-22H2,1H3,(H,33,37)/t23-/m0/s1