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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-dimethylaminoethyl)-N-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxamide hydrochloride Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-dimethylaminoethyl)-N-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxamide hydrochloride CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-dimethylaminoethyl)-N-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxamide hydrochloride IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-dimethylaminoethyl)-N-methyl-1-oxo-4-phenylisoquinoline-3-carboxamide hydrochloride Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-2-(2-dimethylaminoethyl)-1-keto-N-methyl-4-phenyl-isoquinoline-3-carboxamide hydrochloride Formula: C30H28ClF6N3O2 MolecularWeight: 612.005639

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.Cl

Isomeric SMILES

CN(C)CCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.Cl

InChI

InChI=1S/C30H27F6N3O2.ClH/c1-37(2)13-14-39-26(25(20-9-5-4-6-10-20)23-11-7-8-12-24(23)27(39)40)28(41)38(3)18-19-15-21(29(31,32)33)17-22(16-19)30(34,35)36;/h4-12,15-17H,13-14,18H2,1-3H3;1H