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

Systemtic Name: (E)-3-(3-ethoxy-4-oxidanyl-phenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-hydroxy-phenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-hydroxy-phenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]acrylonitrile Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3/c1-2-29-21-14-16(7-8-20(21)27)13-17(15-24)22(28)26-11-9-25(10-12-26)19-6-4-3-5-18(19)23/h3-8,13-14,27H,2,9-12H2,1H3/b17-13+