N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-6-chloro-1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxamide Formula: C26H17ClF6N2O2 MolecularWeight: 538.868799

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H17ClF6N2O2/c1-35-22(21(15-5-3-2-4-6-15)20-12-18(27)7-8-19(20)24(35)37)23(36)34-13-14-9-16(25(28,29)30)11-17(10-14)26(31,32)33/h2-12H,13H2,1H3,(H,34,36)