[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 3-isopentyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxylic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isoamyl-4-keto-phthalazine-1-carboxylic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC(=O)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC(=O)N

InChI

InChI=1S/C18H22N4O5/c1-10(2)8-9-22-16(24)13-7-5-4-6-12(13)14(21-22)17(25)27-11(3)15(23)20-18(19)26/h4-7,10-11H,8-9H2,1-3H3,(H3,19,20,23,26)