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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-2-(2-fluorophenyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-2-(2-fluorophenyl)-3-[[4-(1-piperidyl)-1-piperidyl]methyl]quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-2-(2-fluorophenyl)-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-2-(2-fluorophenyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-2-(2-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=CC=C4F)CN5CCC(CC5)N6CCCCC6

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4F)CN5CCC(CC5)N6CCCCC6

InChI

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