N-[(1S)-1-cyclohexylethyl]-8-fluoranyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-8-fluoranyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-8-fluoro-2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-8-fluoro-2-phenyl-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-8-fluoro-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-8-fluoro-2-phenyl-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=C3C=CC=C(C3=NC(=C2CN4CCC(CC4)N5CCCCC5)C6=CC=CC=C6)F

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C3C=CC=C(C3=NC(=C2CN4CCC(CC4)N5CCCCC5)C6=CC=CC=C6)F

InChI

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