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

Systemtic Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-(3-methoxyphenyl)pyridazin-3-one Openeye Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-butyl]-6-(3-methoxyphenyl)pyridazin-3-one CAS Name: 2-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-6-(3-methoxyphenyl)-3-pyridazinone IUPAC Name: 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-(3-methoxyphenyl)pyridazin-3-one Traditional Name: 2-[4-[4-(3-chlorophenyl)piperazino]-4-keto-butyl]-6-(3-methoxyphenyl)pyridazin-3-one Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O3/c1-33-22-8-2-5-19(17-22)23-10-11-25(32)30(27-23)12-4-9-24(31)29-15-13-28(14-16-29)21-7-3-6-20(26)18-21/h2-3,5-8,10-11,17-18H,4,9,12-16H2,1H3