methyl 7-chloranyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-4,5-dihydro-3H-benzo[g]indazole-3a-carboxylate

Systemtic Name: methyl 7-chloranyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-4,5-dihydro-3H-benzo[g]indazole-3a-carboxylate Openeye Name: methyl 7-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-4,5-dihydro-3H-benzo[g]indazole-3a-carboxylate CAS Name: 7-chloro-2-[oxo-[4-(trifluoromethyl)anilino]methyl]-4,5-dihydro-3H-benzo[g]indazole-3a-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-4,5-dihydro-3H-benzo[g]indazole-3a-carboxylate Traditional Name: 7-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-4,5-dihydro-3H-benz[g]indazole-3a-carboxylic acid methyl ester Formula: C21H17ClF3N3O3 MolecularWeight: 451.82619

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC3=C(C1=NN(C2)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C=CC(=C3)Cl

Isomeric SMILES

COC(=O)C12CCC3=C(C1=NN(C2)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C=CC(=C3)Cl

InChI

InChI=1S/C21H17ClF3N3O3/c1-31-18(29)20-9-8-12-10-14(22)4-7-16(12)17(20)27-28(11-20)19(30)26-15-5-2-13(3-6-15)21(23,24)25/h2-7,10H,8-9,11H2,1H3,(H,26,30)