[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C27H28FN3O3 MolecularWeight: 461.527923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H28FN3O3/c28-23-14-11-21(12-15-23)27-22(18-31(30-27)24-9-5-2-6-10-24)13-16-26(33)34-19-25(32)29-17-20-7-3-1-4-8-20/h2,5-6,9-16,18,20H,1,3-4,7-8,17,19H2,(H,29,32)