tert-butyl 4-[[4-[(phenylmethyl)carbamoyl]-1H-imidazol-5-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(phenylmethyl)carbamoyl]-1H-imidazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(benzylcarbamoyl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-5-yl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(benzylcarbamoyl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-(benzylcarbamoyl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O4/c1-21(2,3)30-20(29)26-11-9-25(10-12-26)19(28)17-16(23-14-24-17)18(27)22-13-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,22,27)(H,23,24)