3-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-piperazinyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]piperazino]-1-pyrrolidino-propan-1-one Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCN2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)CCN2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H27N3O4/c25-20(6-4-17-3-5-18-19(15-17)28-16-27-18)24-13-11-22(12-14-24)10-7-21(26)23-8-1-2-9-23/h3-6,15H,1-2,7-14,16H2/b6-4+