(E)-3-[3,4-bis(oxidanyl)phenyl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3,4-bis(oxidanyl)phenyl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3,4-dihydroxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3,4-dihydroxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC(=C(C=C3)O)O)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C#N

InChI

InChI=1S/C20H19N3O3/c21-14-16(12-15-6-7-18(24)19(25)13-15)20(26)23-10-8-22(9-11-23)17-4-2-1-3-5-17/h1-7,12-13,24-25H,8-11H2/b16-12+