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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[[4-(phenylcarbamoyl)piperazin-1-yl]methyl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[[4-(phenylcarbamoyl)piperazin-1-yl]methyl]quinoline-4-carboxamide CAS Name: 3-[[4-[anilino(oxo)methyl]-1-piperazinyl]methyl]-N-[(1S)-1-cyclohexylethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[[4-(phenylcarbamoyl)piperazin-1-yl]methyl]quinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[[4-(phenylcarbamoyl)piperazino]methyl]cinchoninamide Formula: C36H41N5O2 MolecularWeight: 575.74304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C36H41N5O2/c1-26(27-13-5-2-6-14-27)37-35(42)33-30-19-11-12-20-32(30)39-34(28-15-7-3-8-16-28)31(33)25-40-21-23-41(24-22-40)36(43)38-29-17-9-4-10-18-29/h3-4,7-12,15-20,26-27H,2,5-6,13-14,21-25H2,1H3,(H,37,42)(H,38,43)/t26-/m0/s1