1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 3-phenyl-1-[3-(4-piperonylpiperazino)piperidino]prop-2-yn-1-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N3O3/c30-26(11-9-21-5-2-1-3-6-21)29-12-4-7-23(19-29)28-15-13-27(14-16-28)18-22-8-10-24-25(17-22)32-20-31-24/h1-3,5-6,8,10,17,23H,4,7,12-16,18-20H2