methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(3-methyl-4-oxo-phthalazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methyl-4-oxophthalazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(4-keto-3-methyl-phthalazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC4=CC=CC=C4CC3C(=O)OC

InChI

InChI=1S/C21H19N3O4/c1-23-19(25)16-10-6-5-9-15(16)18(22-23)20(26)24-12-14-8-4-3-7-13(14)11-17(24)21(27)28-2/h3-10,17H,11-12H2,1-2H3