pyridin-3-ylmethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: pyridin-3-ylmethyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: 3-pyridylmethyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid 3-pyridylmethyl ester Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CN=CC=C4

InChI

InChI=1S/C22H17N3O3/c26-21-19-11-5-4-10-18(19)20(22(27)28-15-17-9-6-12-23-13-17)24-25(21)14-16-7-2-1-3-8-16/h1-13H,14-15H2