N-[4-[2-(dimethylamino)-2-oxidanylidene-ethoxy]phenyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-[2-(dimethylamino)-2-oxidanylidene-ethoxy]phenyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[4-[2-(dimethylamino)-2-oxo-ethoxy]phenyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[4-[2-(dimethylamino)-2-keto-ethoxy]phenyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CN(C)C(=O)COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H19N3O4/c1-23(2)18(24)12-27-15-9-7-14(8-10-15)21-20(26)17-11-13-5-3-4-6-16(13)19(25)22-17/h3-11H,12H2,1-2H3,(H,21,26)(H,22,25)