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

Systemtic Name: (E)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(3-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-(3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(3-methoxyphenyl)acrylonitrile Formula: C21H20FN3O2 MolecularWeight: 365.400803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O2/c1-27-18-6-4-5-16(14-18)13-17(15-23)21(26)25-11-9-24(10-12-25)20-8-3-2-7-19(20)22/h2-8,13-14H,9-12H2,1H3/b17-13+