(1-azanyl-1-oxidanylidene-propan-2-yl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)N

InChI

InChI=1S/C18H23N3O4/c1-3-4-5-8-11-21-17(23)14-10-7-6-9-13(14)15(20-21)18(24)25-12(2)16(19)22/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H2,19,22)