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

Systemtic Name: (E)-2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]carbonyl-3-(3-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(3,4-dimethoxybenzoyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-3-(3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(3,4-dimethoxybenzoyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(3-methoxyphenyl)-2-(4-veratroylpiperazine-1-carbonyl)acrylonitrile Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5/c1-30-20-6-4-5-17(14-20)13-19(16-25)24(29)27-11-9-26(10-12-27)23(28)18-7-8-21(31-2)22(15-18)32-3/h4-8,13-15H,9-12H2,1-3H3/b19-13+