3-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanylidene-N-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanylidene-N-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(dimethylamino)-3-oxo-propyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(dimethylamino)-3-oxopropyl]-1-oxo-N-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(dimethylamino)-3-oxopropyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(dimethylamino)-3-keto-propyl]-1-keto-3,4-dihydroisoquinoline-4-carboxamide Formula: C30H27F6N3O3 MolecularWeight: 591.544099

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN(C)C(=O)CCN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C30H27F6N3O3/c1-38(2)24(40)12-13-39-26(19-14-20(29(31,32)33)16-21(15-19)30(34,35)36)25(22-10-6-7-11-23(22)28(39)42)27(41)37-17-18-8-4-3-5-9-18/h3-11,14-16,25-26H,12-13,17H2,1-2H3,(H,37,41)