tert-butyl 3-[2-(benzotriazol-1-yl)ethylcarbamoyl]-4-(cyclohexylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-(benzotriazol-1-yl)ethylcarbamoyl]-4-(cyclohexylcarbamoyl)piperazine-1-carboxylate Openeye Name: tert-butyl 3-[2-(benzotriazol-1-yl)ethylcarbamoyl]-4-(cyclohexylcarbamoyl)piperazine-1-carboxylate CAS Name: 3-[[2-(1-benzotriazolyl)ethylamino]-oxomethyl]-4-[(cyclohexylamino)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(benzotriazol-1-yl)ethylcarbamoyl]-4-(cyclohexylcarbamoyl)piperazine-1-carboxylate Traditional Name: 3-[2-(benzotriazol-1-yl)ethylcarbamoyl]-4-(cyclohexylcarbamoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C25H37N7O4 MolecularWeight: 499.60578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCN2C3=CC=CC=C3N=N2)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCN2C3=CC=CC=C3N=N2)C(=O)NC4CCCCC4

InChI

InChI=1S/C25H37N7O4/c1-25(2,3)36-24(35)30-15-16-31(23(34)27-18-9-5-4-6-10-18)21(17-30)22(33)26-13-14-32-20-12-8-7-11-19(20)28-29-32/h7-8,11-12,18,21H,4-6,9-10,13-17H2,1-3H3,(H,26,33)(H,27,34)