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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O3/c1-28-19-11-10-15(13-20(19)29-2)24-22(27)21-17-8-3-4-9-18(17)26(25-21)16-7-5-6-14(23)12-16/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,24,27)