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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)CN5CCC(CC5)N6CCCCC6

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)CN5CCC(CC5)N6CCCCC6

InChI

InChI=1S/C35H45FN4O/c1-25(26-10-4-2-5-11-26)37-35(41)33-30-12-6-7-13-32(30)38-34(27-14-16-28(36)17-15-27)31(33)24-39-22-18-29(19-23-39)40-20-8-3-9-21-40/h6-7,12-17,25-26,29H,2-5,8-11,18-24H2,1H3,(H,37,41)/t25-/m0/s1