N-(2-bromanyl-4-methyl-phenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C21H19BrFN3O MolecularWeight: 428.297463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F)Br

InChI

InChI=1S/C21H19BrFN3O/c1-13-6-11-18(17(22)12-13)24-21(27)20-16-4-2-3-5-19(16)26(25-20)15-9-7-14(23)8-10-15/h6-12H,2-5H2,1H3,(H,24,27)