ethyl 4-[[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazol-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazol-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H27BrN4O3 MolecularWeight: 475.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H27BrN4O3/c1-2-30-22(29)26-13-11-16(12-14-26)24-21(28)20-18-5-3-4-6-19(18)27(25-20)17-9-7-15(23)8-10-17/h7-10,16H,2-6,11-14H2,1H3,(H,24,28)