1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: 1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O3/c1-28-16-11-12-20(29-2)18(13-16)24-22(27)21-17-5-3-4-6-19(17)26(25-21)15-9-7-14(23)8-10-15/h7-13H,3-6H2,1-2H3,(H,24,27)