3-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(isoamylcarbamoylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C17H20N4O5/c1-10(2)7-8-18-17(26)19-13(22)9-21-15(23)12-6-4-3-5-11(12)14(20-21)16(24)25/h3-6,10H,7-9H2,1-2H3,(H,24,25)(H2,18,19,22,26)