(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H18N6O3/c1-2-12-25-19(27)16-11-7-6-10-15(16)18(22-25)20(28)29-13-17-21-23-24-26(17)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3