6-(4-methoxyphenyl)-2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]pyridazin-3-one

Systemtic Name: 6-(4-methoxyphenyl)-2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]pyridazin-3-one Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-6-(4-methoxyphenyl)pyridazin-3-one CAS Name: 6-(4-methoxyphenyl)-2-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]-3-pyridazinone IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-6-(4-methoxyphenyl)pyridazin-3-one Traditional Name: 2-[4-(4-benzylpiperazino)-4-keto-butyl]-6-(4-methoxyphenyl)pyridazin-3-one Formula: C26H30N4O3 MolecularWeight: 446.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-33-23-11-9-22(10-12-23)24-13-14-26(32)30(27-24)15-5-8-25(31)29-18-16-28(17-19-29)20-21-6-3-2-4-7-21/h2-4,6-7,9-14H,5,8,15-20H2,1H3