3-[(3S)-2-[3-(2-chloranyl-6-fluoranyl-phenoxy)-5-oxidanylidene-2H-pyrrol-1-yl]-3-cyclohexyl-1-methyl-pyrazol-3-yl]propanamide

Systemtic Name: 3-[(3S)-2-[3-(2-chloranyl-6-fluoranyl-phenoxy)-5-oxidanylidene-2H-pyrrol-1-yl]-3-cyclohexyl-1-methyl-pyrazol-3-yl]propanamide Openeye Name: 3-[(3S)-2-[3-(2-chloro-6-fluoro-phenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-1-methyl-pyrazol-3-yl]propanamide CAS Name: 3-[(3S)-2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-1-methyl-3-pyrazolyl]propanamide IUPAC Name: 3-[(3S)-2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-1-methylpyrazol-3-yl]propanamide Traditional Name: 3-[(3S)-2-[4-(2-chloro-6-fluoro-phenoxy)-2-keto-3-pyrrolin-1-yl]-3-cyclohexyl-1-methyl-3-pyrazolin-3-yl]propionamide Formula: C23H28ClFN4O3 MolecularWeight: 462.944823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(N1N2CC(=CC2=O)OC3=C(C=CC=C3Cl)F)(CCC(=O)N)C4CCCCC4

Isomeric SMILES

CN1C=C[C@](N1N2CC(=CC2=O)OC3=C(C=CC=C3Cl)F)(CCC(=O)N)C4CCCCC4

InChI

InChI=1S/C23H28ClFN4O3/c1-27-13-12-23(11-10-20(26)30,16-6-3-2-4-7-16)29(27)28-15-17(14-21(28)31)32-22-18(24)8-5-9-19(22)25/h5,8-9,12-14,16H,2-4,6-7,10-11,15H2,1H3,(H2,26,30)/t23-/m1/s1