(E)-1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-methyl-but-2-en-1-one

Systemtic Name: (E)-1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-methyl-but-2-en-1-one Openeye Name: (E)-1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-2-methyl-but-2-en-1-one CAS Name: (E)-1-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-2-methyl-2-buten-1-one IUPAC Name: (E)-1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-methylbut-2-en-1-one Traditional Name: (E)-2-methyl-1-[3-(4-piperonylpiperazino)piperidino]but-2-en-1-one Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)N1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C=C(\C)/C(=O)N1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H31N3O3/c1-3-17(2)22(26)25-8-4-5-19(15-25)24-11-9-23(10-12-24)14-18-6-7-20-21(13-18)28-16-27-20/h3,6-7,13,19H,4-5,8-12,14-16H2,1-2H3/b17-3+