2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)allyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)allyl]piperazino]-1-pyrrolidino-ethanone Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)CC=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H27N3O3/c24-20(23-8-1-2-9-23)15-22-12-10-21(11-13-22)7-3-4-17-5-6-18-19(14-17)26-16-25-18/h3-6,14H,1-2,7-13,15-16H2/b4-3+