(E)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-(3-hydroxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(3-hydroxy-4-methoxy-phenyl)acrylonitrile Formula: C21H20FN3O3 MolecularWeight: 381.400203

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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=C3F)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3F)O

InChI

InChI=1S/C21H20FN3O3/c1-28-20-7-6-15(13-19(20)26)12-16(14-23)21(27)25-10-8-24(9-11-25)18-5-3-2-4-17(18)22/h2-7,12-13,26H,8-11H2,1H3/b16-12+