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

Systemtic Name: (E)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(2-methylphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(o-tolyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-(2-methylphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(2-methylphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(o-tolyl)acrylonitrile Formula: C21H20FN3O MolecularWeight: 349.401403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=CC=C1/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H20FN3O/c1-16-6-2-3-7-17(16)14-18(15-23)21(26)25-12-10-24(11-13-25)20-9-5-4-8-19(20)22/h2-9,14H,10-13H2,1H3/b18-14+