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

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-thiophen-2-yl-pyridazin-3-one Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxo-butyl]-6-(2-thienyl)pyridazin-3-one CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazinyl]-4-oxobutyl]-6-thiophen-2-yl-3-pyridazinone IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-thiophen-2-ylpyridazin-3-one Traditional Name: 2-[4-(4-benzhydrylpiperazino)-4-keto-butyl]-6-(2-thienyl)pyridazin-3-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCN4C(=O)C=CC(=N4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCN4C(=O)C=CC(=N4)C5=CC=CS5

InChI

InChI=1S/C29H30N4O2S/c34-27(14-7-17-33-28(35)16-15-25(30-33)26-13-8-22-36-26)31-18-20-32(21-19-31)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,8-13,15-16,22,29H,7,14,17-21H2