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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-1-oxidanylidene-4-pyrrolidin-1-yl-isoquinoline-3-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-1-oxo-4-pyrrolidin-1-yl-isoquinoline-3-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-1-oxo-4-(1-pyrrolidinyl)-3-isoquinolinecarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-1-oxo-4-pyrrolidin-1-ylisoquinoline-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-1-keto-N,2-dimethyl-4-pyrrolidino-isoquinoline-3-carboxamide Formula: C25H23F6N3O2 MolecularWeight: 511.459439

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)N3CCCC3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)N3CCCC3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H23F6N3O2/c1-32(14-15-11-16(24(26,27)28)13-17(12-15)25(29,30)31)23(36)21-20(34-9-5-6-10-34)18-7-3-4-8-19(18)22(35)33(21)2/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3