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

Systemtic Name: (E)-3-(2,3-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2,3-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(2,3-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]acrylonitrile Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-28-20-9-7-19(8-10-20)25-11-13-26(14-12-25)23(27)18(16-24)15-17-5-4-6-21(29-2)22(17)30-3/h4-10,15H,11-14H2,1-3H3/b18-15+