ethyl 3-[(3-cyanophenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: ethyl 3-[(3-cyanophenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: ethyl 3-[(3-cyanophenyl)methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(3-cyanophenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-cyanophenyl)methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-(3-cyanobenzyl)-4-keto-phthalazine-1-carboxylic acid ethyl ester Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H15N3O3/c1-2-25-19(24)17-15-8-3-4-9-16(15)18(23)22(21-17)12-14-7-5-6-13(10-14)11-20/h3-10H,2,12H2,1H3