1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[2-(trifluoromethyl)phenyl]-4-isoquinolinecarboxamide IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Formula: C28H25F3N4O2 MolecularWeight: 506.51891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=CC=C5C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C28H25F3N4O2/c1-37-25-13-7-6-12-24(25)34-14-16-35(17-15-34)26-20-9-3-2-8-19(20)21(18-32-26)27(36)33-23-11-5-4-10-22(23)28(29,30)31/h2-13,18H,14-17H2,1H3,(H,33,36)