[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

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