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

Systemtic Name: (E)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-(3-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-(3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(3-methoxyphenyl)-2-(4-piperonylpiperazine-1-carbonyl)acrylonitrile Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H23N3O4/c1-28-20-4-2-3-17(12-20)11-19(14-24)23(27)26-9-7-25(8-10-26)15-18-5-6-21-22(13-18)30-16-29-21/h2-6,11-13H,7-10,15-16H2,1H3/b19-11+