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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)C(F)(F)F

InChI

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