N-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3,5-bis(trifluoromethyl)benzamide 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)CNC(=O)C4=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)CNC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

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