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

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]acrylonitrile Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(=CC3=CC(=C(C=C3)OC)F)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)/C(=C/C3=CC(=C(C=C3)OC)F)/C#N

InChI

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