N-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-(2-isobutyl-1-oxo-4-isoquinolyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-(2-isobutyl-1-keto-4-isoquinolyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C25H27F3N4O2 MolecularWeight: 472.50269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H27F3N4O2/c1-17(2)15-32-16-22(20-8-3-4-9-21(20)23(32)33)29-24(34)31-12-10-30(11-13-31)19-7-5-6-18(14-19)25(26,27)28/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,29,34)