[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl] ester Formula: C18H18N4O5 MolecularWeight: 370.35932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H18N4O5/c1-4-13(16(23)19-14-9-10(2)27-21-14)26-18(25)15-11-7-5-6-8-12(11)17(24)22(3)20-15/h5-9,13H,4H2,1-3H3,(H,19,21,23)/t13-/m0/s1