tert-butyl 4-[[4-[(3-chlorophenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(3-chlorophenyl)carbamoyl]-1H-imidazol-5-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(3-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[(3-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(3-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(3-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H26ClN5O4 MolecularWeight: 447.91524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=C(N=CN2)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=C(N=CN2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN5O4/c1-21(2,3)31-20(30)27-9-7-14(8-10-27)25-18(28)16-17(24-12-23-16)19(29)26-15-6-4-5-13(22)11-15/h4-6,11-12,14H,7-10H2,1-3H3,(H,23,24)(H,25,28)(H,26,29)