[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4/c31-24(29-15-14-20-10-4-5-11-21(20)17-29)18-34-27(33)25-22-12-6-7-13-23(22)26(32)30(28-25)16-19-8-2-1-3-9-19/h1-13H,14-18H2