(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C16H18N6O3/c1-3-8-22-14(17-19-20-22)10-25-15(23)9-13-11-6-4-5-7-12(11)16(24)21(2)18-13/h4-7H,3,8-10H2,1-2H3