1-(5-fluoranyl-2-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate

Systemtic Name: 1-(5-fluoranyl-2-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Openeye Name: 1-(5-fluoro-2-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate CAS Name: 1-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate IUPAC Name: 1-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Traditional Name: 1-(5-fluoro-2-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Formula: C16H16FN2O2- MolecularWeight: 287.308843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)N2C3=C(CCCCC3)C(=N2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)F)N2C3=C(CCCCC3)C(=N2)C(=O)[O-]

InChI

InChI=1S/C16H17FN2O2/c1-10-7-8-11(17)9-14(10)19-13-6-4-2-3-5-12(13)15(18-19)16(20)21/h7-9H,2-6H2,1H3,(H,20,21)/p-1