N-ethyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

Systemtic Name: N-ethyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Openeye Name: N-ethyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide CAS Name: N-ethyl-1-[4-(2-methoxyphenyl)-1-piperazinyl]-N-[3-(trifluoromethyl)phenyl]-4-isoquinolinecarboxamide IUPAC Name: N-ethyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Traditional Name: N-ethyl-1-[4-(2-methoxyphenyl)piperazino]-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Formula: C30H29F3N4O2 MolecularWeight: 534.57207

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C(F)(F)F)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C(F)(F)F)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C30H29F3N4O2/c1-3-37(22-10-8-9-21(19-22)30(31,32)33)29(38)25-20-34-28(24-12-5-4-11-23(24)25)36-17-15-35(16-18-36)26-13-6-7-14-27(26)39-2/h4-14,19-20H,3,15-18H2,1-2H3