(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]acrylonitrile Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5/c1-28-19-5-3-18(4-6-19)25-7-9-26(10-8-25)23(27)17(14-24)11-16-12-20(29-2)22-21(13-16)30-15-31-22/h3-6,11-13H,7-10,15H2,1-2H3/b17-11+