(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]acrylonitrile Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c1-29-19-6-4-18(5-7-19)25-8-10-26(11-9-25)23(28)17(15-24)12-16-13-20(30-2)22(27)21(14-16)31-3/h4-7,12-14,27H,8-11H2,1-3H3/b17-12+