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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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