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

Systemtic Name: (E)-3-(4-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-ethylphenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(4-ethylphenyl)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-ethylphenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(4-ethylphenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]acrylonitrile Formula: C22H22FN3O MolecularWeight: 363.427983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C22H22FN3O/c1-2-17-7-9-18(10-8-17)15-19(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/b19-15+