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

Systemtic Name: ethyl 4-[[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazol-3-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H25BrN4O3/c1-2-29-21(28)25-13-11-24(12-14-25)20(27)19-17-5-3-4-6-18(17)26(23-19)16-9-7-15(22)8-10-16/h7-10H,2-6,11-14H2,1H3