[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-5-thiophen-2-yl-pyrazol-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-5-thiophen-2-yl-pyrazol-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-methyl-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-methyl-5-thiophen-2-yl-3-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone Traditional Name: [2-methyl-5-(2-thienyl)pyrazol-3-yl]-(4-piperonylpiperazino)methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=CS2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=CS2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O3S/c1-23-17(12-16(22-23)20-3-2-10-29-20)21(26)25-8-6-24(7-9-25)13-15-4-5-18-19(11-15)28-14-27-18/h2-5,10-12H,6-9,13-14H2,1H3