methyl 2-[[3-(dimethylamino)phenyl]carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[[3-(dimethylamino)phenyl]carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[3-(dimethylamino)benzoyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[[3-(dimethylamino)phenyl]-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(dimethylamino)benzoyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[3-(dimethylamino)benzoyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C20H19N3O4/c1-22(2)14-8-6-7-13(11-14)18(24)21-23-12-17(20(26)27-3)15-9-4-5-10-16(15)19(23)25/h4-12H,1-3H3,(H,21,24)