(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-N-phenethyl-3-(4-piperonylpiperazino)acrylamide Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C=C(C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)/C=C(\C#N)/C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c25-15-21(24(29)26-9-8-19-4-2-1-3-5-19)17-28-12-10-27(11-13-28)16-20-6-7-22-23(14-20)31-18-30-22/h1-7,14,17H,8-13,16,18H2,(H,26,29)/b21-17+