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

Systemtic Name: tert-butyl 4-[[4-(phenylcarbamoyl)-1H-imidazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-[anilino(oxo)methyl]-1H-imidazol-5-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-(phenylcarbamoyl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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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)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CN2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O4/c1-20(2,3)29-19(28)25-11-9-24(10-12-25)18(27)16-15(21-13-22-16)17(26)23-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,21,22)(H,23,26)