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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C20H26N4O5/c1-4-5-10-24-18(26)15-9-7-6-8-14(15)17(23-24)19(27)29-12-16(25)22-20(28)21-11-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,21,22,25,28)