[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-fluorophenyl)-2-propenoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-fluoro-phenyl)acrylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C=CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H20ClFN2O3/c22-18-14-16(6-8-19(18)23)7-9-21(27)28-15-20(26)25-12-10-24(11-13-25)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2/b9-7+