ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-cyclohexa-1,3-diene-1-carboxylate CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-2-methyl-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-2-methyl-cyclohexa-1,3-diene-1-carboxylic acid ethyl ester Formula: C20H25FN2O2 MolecularWeight: 344.423103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(CC1)N2CCN(CC2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(CC1)N2CCN(CC2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H25FN2O2/c1-3-25-20(24)19-9-8-18(14-15(19)2)23-12-10-22(11-13-23)17-6-4-16(21)5-7-17/h4-7,14H,3,8-13H2,1-2H3