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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: N-(4-bromo-2-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=C(C=CC(=C1)Br)NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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