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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-methoxyphenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-methoxyphenyl)-2-methyl-1-oxo-isoquinoline-3-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-methoxyphenyl)-2-methyl-1-oxo-3-isoquinolinecarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-1-keto-4-(2-methoxyphenyl)-2-methyl-isoquinoline-3-carboxamide Formula: C27H20F6N2O3 MolecularWeight: 534.449719

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3OC)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3OC)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H20F6N2O3/c1-35-23(24(36)34-14-15-11-16(26(28,29)30)13-17(12-15)27(31,32)33)22(20-9-5-6-10-21(20)38-2)18-7-3-4-8-19(18)25(35)37/h3-13H,14H2,1-2H3,(H,34,36)