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

Systemtic Name: methyl (3S)-2-(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-(3-ethyl-4-oxo-phthalazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-(3-ethyl-4-oxophthalazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-(3-ethyl-4-keto-phthalazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)OC

InChI

InChI=1S/C22H21N3O4/c1-3-25-20(26)17-11-7-6-10-16(17)19(23-25)21(27)24-13-15-9-5-4-8-14(15)12-18(24)22(28)29-2/h4-11,18H,3,12-13H2,1-2H3/t18-/m0/s1