[4-(4-ethanoylpiperazin-1-yl)phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H22N4O4/c1-15(27)25-11-13-26(14-12-25)16-7-9-17(10-8-16)30-22(29)20-18-5-3-4-6-19(18)21(28)24(2)23-20/h3-10H,11-14H2,1-2H3