4-isoquinolin-1-yl-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-isoquinolin-1-yl-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-(1-isoquinolyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-(1-isoquinolinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-isoquinolin-1-yl-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(1-isoquinolyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C22H21F3N4O MolecularWeight: 414.42355

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(F)(F)F)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21F3N4O/c1-15-14-28(20-19-5-3-2-4-16(19)10-11-26-20)12-13-29(15)21(30)27-18-8-6-17(7-9-18)22(23,24)25/h2-11,15H,12-14H2,1H3,(H,27,30)