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

Systemtic Name: (E)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-(4-propan-2-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(4-isopropylphenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-(4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-3-p-cumenyl-2-(4-piperonylpiperazine-1-carbonyl)acrylonitrile Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3/c1-18(2)21-6-3-19(4-7-21)13-22(15-26)25(29)28-11-9-27(10-12-28)16-20-5-8-23-24(14-20)31-17-30-23/h3-8,13-14,18H,9-12,16-17H2,1-2H3/b22-13+