4-[[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]piperazino]methyl]benzonitrile Formula: C22H21N3O3 MolecularWeight: 375.42044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O3/c23-14-18-1-3-19(4-2-18)15-24-9-11-25(12-10-24)22(26)8-6-17-5-7-20-21(13-17)28-16-27-20/h1-8,13H,9-12,15-16H2/b8-6+