6-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 6-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 6-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-benzyl-pyridazin-3-one CAS Name: 6-[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 6-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-benzylpyridazin-3-one Traditional Name: 6-[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-benzyl-pyridazin-3-one Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N4O2S/c29-22-13-12-20(26-28(22)15-17-7-2-1-3-8-17)24(30)27-14-6-9-18(16-27)23-25-19-10-4-5-11-21(19)31-23/h1-5,7-8,10-13,18H,6,9,14-16H2