[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic 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)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C17H21N3O4/c1-11(2)7-8-18-15(21)10-24-16(22)9-14-12-5-3-4-6-13(12)17(23)20-19-14/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H,20,23)