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

Systemtic Name: 3-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(isopentylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(3-methylbutylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(3-methylbutylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(isoamylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C16H18N3O4- MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-10(2)7-8-17-13(20)9-19-15(21)12-6-4-3-5-11(12)14(18-19)16(22)23/h3-6,10H,7-9H2,1-2H3,(H,17,20)(H,22,23)/p-1