[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[6-(2-thienyl)pyridazin-3-yl]-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone Traditional Name: (4-piperonylpiperazino)-[1-[6-(2-thienyl)pyridazin-3-yl]-4-piperidyl]methanone Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=NN=C(C=C5)C6=CC=CS6

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=NN=C(C=C5)C6=CC=CS6

InChI

InChI=1S/C26H29N5O3S/c32-26(31-13-11-29(12-14-31)17-19-3-5-22-23(16-19)34-18-33-22)20-7-9-30(10-8-20)25-6-4-21(27-28-25)24-2-1-15-35-24/h1-6,15-16,20H,7-14,17-18H2