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

Systemtic Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-(3-methyl-2-thienyl)methanone CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-(3-methyl-2-thiophenyl)methanone IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone Traditional Name: (3-methyl-2-thienyl)-[3-(4-piperonylpiperazino)piperidino]methanone Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H29N3O3S/c1-17-6-12-30-22(17)23(27)26-7-2-3-19(15-26)25-10-8-24(9-11-25)14-18-4-5-20-21(13-18)29-16-28-20/h4-6,12-13,19H,2-3,7-11,14-16H2,1H3