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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(4-ethoxyphenyl)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-ethoxyphenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-p-phenetyl-acrylonitrile Formula: C22H22FN3O2 MolecularWeight: 379.427383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C22H22FN3O2/c1-2-28-19-9-7-17(8-10-19)15-18(16-24)22(27)26-13-11-25(12-14-26)21-6-4-3-5-20(21)23/h3-10,15H,2,11-14H2,1H3/b18-15+