tert-butyl 4-azanyl-3-[2-[3-[(4-chlorophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-3-[2-[3-[(4-chlorophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-amino-3-[2-[3-[(4-chlorophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-amino-3-[[2-[3-[(4-chlorophenyl)methyl]-4-imidazolyl]ethylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-[2-[3-[(4-chlorophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-amino-3-[2-[3-(4-chlorobenzyl)imidazol-4-yl]ethylcarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H31ClN6O3 MolecularWeight: 462.97294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCC2=CN=CN2CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C22H31ClN6O3/c1-22(2,3)32-21(31)27-10-11-29(24)19(14-27)20(30)26-9-8-18-12-25-15-28(18)13-16-4-6-17(23)7-5-16/h4-7,12,15,19H,8-11,13-14,24H2,1-3H3,(H,26,30)