N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC2=CC=CC=C2C(=O)N1)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC2=CC=CC=C2C(=O)N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O2/c1-24(2)18(15-9-5-6-10-16(15)21)12-22-20(26)17-11-13-7-3-4-8-14(13)19(25)23-17/h3-11,18H,12H2,1-2H3,(H,22,26)(H,23,25)