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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C16H18N6O3/c1-3-4-9-22-13(17-19-20-22)10-25-16(24)14-11-7-5-6-8-12(11)15(23)21(2)18-14/h5-8H,3-4,9-10H2,1-2H3