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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)N

InChI

InChI=1S/C17H21N3O4/c1-3-4-7-10-20-16(22)13-9-6-5-8-12(13)14(19-20)17(23)24-11(2)15(18)21/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,18,21)