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

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(CC)C(=O)NC3=NOC(=C3)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(CC)C(=O)NC3=NOC(=C3)C

InChI

InChI=1S/C23H28N4O5/c1-4-6-7-10-13-27-22(29)17-12-9-8-11-16(17)20(25-27)23(30)31-18(5-2)21(28)24-19-14-15(3)32-26-19/h8-9,11-12,14,18H,4-7,10,13H2,1-3H3,(H,24,26,28)