[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C22H14N6O3 MolecularWeight: 410.38496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=C(C=C4)N5C=NN=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=C(C=C4)N5C=NN=N5

InChI

InChI=1S/C22H14N6O3/c29-21-19-9-5-4-8-18(19)20(24-28(21)16-6-2-1-3-7-16)22(30)31-17-12-10-15(11-13-17)27-14-23-25-26-27/h1-14H