3-cyanopropyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: 3-cyanopropyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: 3-cyanopropyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid 3-cyanopropyl ester Formula: C19H15N3O3 MolecularWeight: 333.3407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCCCC#N

InChI

InChI=1S/C19H15N3O3/c20-12-6-7-13-25-19(24)17-15-10-4-5-11-16(15)18(23)22(21-17)14-8-2-1-3-9-14/h1-5,8-11H,6-7,13H2