N-(4-acetamido-3-chloranyl-phenyl)-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: N-(4-acetamido-3-chlorophenyl)-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-1-(3-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C22H20BrClN4O2 MolecularWeight: 487.7768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=NN(C3=C2CCCC3)C4=CC(=CC=C4)Br)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=NN(C3=C2CCCC3)C4=CC(=CC=C4)Br)Cl

InChI

InChI=1S/C22H20BrClN4O2/c1-13(29)25-19-10-9-15(12-18(19)24)26-22(30)21-17-7-2-3-8-20(17)28(27-21)16-6-4-5-14(23)11-16/h4-6,9-12H,2-3,7-8H2,1H3,(H,25,29)(H,26,30)