tert-butyl 4-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazol-5-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(m-tolylcarbamoyl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(3-methylanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(3-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-(m-tolylcarbamoyl)-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:

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(NC=N2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N5O4/c1-14-6-5-7-15(12-14)24-18(27)16-17(23-13-22-16)19(28)25-8-10-26(11-9-25)20(29)30-21(2,3)4/h5-7,12-13H,8-11H2,1-4H3,(H,22,23)(H,24,27)