1-[(4-chloranyl-2-methoxy-phenyl)amino]-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

Systemtic Name: 1-[(4-chloranyl-2-methoxy-phenyl)amino]-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Openeye Name: 1-(4-chloro-2-methoxy-anilino)-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide CAS Name: 1-(4-chloro-2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(4-chloro-2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Traditional Name: 1-(4-chloro-2-methoxy-anilino)-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Formula: C24H17ClF3N3O2 MolecularWeight: 471.85889

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H17ClF3N3O2/c1-33-21-12-15(25)8-11-20(21)31-22-18-5-3-2-4-17(18)19(13-29-22)23(32)30-16-9-6-14(7-10-16)24(26,27)28/h2-13H,1H3,(H,29,31)(H,30,32)