[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C17H21N3O4/c1-11(2)8-9-18-14(21)10-24-17(23)15-12-6-4-5-7-13(12)16(22)20(3)19-15/h4-7,11H,8-10H2,1-3H3,(H,18,21)