6-(3,4-dimethoxyphenyl)-2-[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butyl]pyridazin-3-one

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butyl]pyridazin-3-one Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)-4-oxo-butyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one CAS Name: 2-[4-(4-acetyl-1-piperazinyl)-4-oxobutyl]-6-(3,4-dimethoxyphenyl)-3-pyridazinone IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one Traditional Name: 2-[4-(4-acetylpiperazino)-4-keto-butyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one Formula: C22H28N4O5 MolecularWeight: 428.48152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N4O5/c1-16(27)24-11-13-25(14-12-24)21(28)5-4-10-26-22(29)9-7-18(23-26)17-6-8-19(30-2)20(15-17)31-3/h6-9,15H,4-5,10-14H2,1-3H3