(E)-3-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-27-20-9-8-17(15-21(20)28-2)14-18(16-23)22(26)25-12-10-24(11-13-25)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3/b18-14+