N-[(1S)-1-cyclohexylethyl]-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-7-(trifluoromethyl)quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-7-(trifluoromethyl)quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-7-(trifluoromethyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxo-1-piperazinyl)methyl]-2-phenyl-7-(trifluoromethyl)-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-7-(trifluoromethyl)quinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-ketopiperazino)methyl]-2-phenyl-7-(trifluoromethyl)cinchoninamide Formula: C30H33F3N4O2 MolecularWeight: 538.60383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C3C=CC(=CC3=NC(=C2CN4CCNC(=O)C4)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C3C=CC(=CC3=NC(=C2CN4CCNC(=O)C4)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C30H33F3N4O2/c1-19(20-8-4-2-5-9-20)35-29(39)27-23-13-12-22(30(31,32)33)16-25(23)36-28(21-10-6-3-7-11-21)24(27)17-37-15-14-34-26(38)18-37/h3,6-7,10-13,16,19-20H,2,4-5,8-9,14-15,17-18H2,1H3,(H,34,38)(H,35,39)/t19-/m0/s1