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

Systemtic Name: 2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]-6-thiophen-2-yl-pyridazin-3-one Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]-6-(2-thienyl)pyridazin-3-one CAS Name: 2-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]-6-thiophen-2-yl-3-pyridazinone IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-6-thiophen-2-ylpyridazin-3-one Traditional Name: 2-[4-(4-benzylpiperazino)-4-keto-butyl]-6-(2-thienyl)pyridazin-3-one Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C=CC(=N3)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C23H26N4O2S/c28-22(26-15-13-25(14-16-26)18-19-6-2-1-3-7-19)9-4-12-27-23(29)11-10-20(24-27)21-8-5-17-30-21/h1-3,5-8,10-11,17H,4,9,12-16,18H2