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

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Openeye Name: 1-(4-bromo-2-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate CAS Name: 1-(4-bromo-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate IUPAC Name: 1-(4-bromo-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Traditional Name: 1-(4-bromo-2-methyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate Formula: C16H16BrN2O2- MolecularWeight: 348.21444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O2/c1-10-9-11(17)7-8-13(10)19-14-6-4-2-3-5-12(14)15(18-19)16(20)21/h7-9H,2-6H2,1H3,(H,20,21)/p-1