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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H17N7O4 MolecularWeight: 371.35068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C16H17N7O4/c1-2-7-22-12(18-20-21-22)9-27-13(24)8-23-16(26)11-6-4-3-5-10(11)14(19-23)15(17)25/h3-6H,2,7-9H2,1H3,(H2,17,25)