[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C23H23N3O5/c1-14(2)12-26-22(29)19-10-5-4-9-18(19)21(25-26)23(30)31-13-20(28)24-17-8-6-7-16(11-17)15(3)27/h4-11,14H,12-13H2,1-3H3,(H,24,28)