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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-dimethylaminoethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-dimethylaminoethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-dimethylaminoethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-dimethylaminoethyl)-1-oxo-4-phenylisoquinoline-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-2-(2-dimethylaminoethyl)-1-keto-4-phenyl-isoquinoline-3-carboxamide Formula: C29H25F6N3O2 MolecularWeight: 561.518119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN(C)CCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H25F6N3O2/c1-37(2)12-13-38-25(24(19-8-4-3-5-9-19)22-10-6-7-11-23(22)27(38)40)26(39)36-17-18-14-20(28(30,31)32)16-21(15-18)29(33,34)35/h3-11,14-16H,12-13,17H2,1-2H3,(H,36,39)