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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-2-(4-fluorophenyl)-3-[(3-oxidanylidenepiperazin-1-yl)methyl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-2-(4-fluorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-2-(4-fluorophenyl)-3-[(3-oxo-1-piperazinyl)methyl]-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-2-(4-fluorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]quinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-2-(4-fluorophenyl)-3-[(3-ketopiperazino)methyl]cinchoninamide Formula: C29H33FN4O2 MolecularWeight: 488.596323

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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)CN5CCNC(=O)C5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)F)CN5CCNC(=O)C5

InChI

InChI=1S/C29H33FN4O2/c1-19(20-7-3-2-4-8-20)32-29(36)27-23-9-5-6-10-25(23)33-28(21-11-13-22(30)14-12-21)24(27)17-34-16-15-31-26(35)18-34/h5-6,9-14,19-20H,2-4,7-8,15-18H2,1H3,(H,31,35)(H,32,36)/t19-/m0/s1