N-[(1S)-1-cyclohexylethyl]-7-fluoranyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-7-fluoranyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-7-fluoro-2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-7-fluoro-2-phenyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-7-fluoro-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-7-fluoro-2-phenyl-3-[(4-piperidinopiperidino)methyl]cinchoninamide Formula: C35H45FN4O MolecularWeight: 556.756403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C3C=CC(=CC3=NC(=C2CN4CCC(CC4)N5CCCCC5)C6=CC=CC=C6)F

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C3C=CC(=CC3=NC(=C2CN4CCC(CC4)N5CCCCC5)C6=CC=CC=C6)F

InChI

InChI=1S/C35H45FN4O/c1-25(26-11-5-2-6-12-26)37-35(41)33-30-16-15-28(36)23-32(30)38-34(27-13-7-3-8-14-27)31(33)24-39-21-17-29(18-22-39)40-19-9-4-10-20-40/h3,7-8,13-16,23,25-26,29H,2,4-6,9-12,17-22,24H2,1H3,(H,37,41)/t25-/m0/s1