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

Systemtic Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(4-ethenylphenyl)methanone Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-piperidyl]-(4-vinylphenyl)methanone CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-piperidinyl]-(4-ethenylphenyl)methanone IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-(4-ethenylphenyl)methanone Traditional Name: [3-(4-piperonylpiperazino)piperidino]-(4-vinylphenyl)methanone Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3/c1-2-20-5-8-22(9-6-20)26(30)29-11-3-4-23(18-29)28-14-12-27(13-15-28)17-21-7-10-24-25(16-21)32-19-31-24/h2,5-10,16,23H,1,3-4,11-15,17-19H2