(E)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-(4-methylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-(4-methylphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(p-tolyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-(4-methylphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(4-methylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-piperonylpiperazine-1-carbonyl)-3-(p-tolyl)acrylonitrile Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H23N3O3/c1-17-2-4-18(5-3-17)12-20(14-24)23(27)26-10-8-25(9-11-26)15-19-6-7-21-22(13-19)29-16-28-21/h2-7,12-13H,8-11,15-16H2,1H3/b20-12+