tert-butyl 3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylate Openeye Name: tert-butyl 3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylate CAS Name: 3-[[3-(1-imidazolyl)propylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylate Traditional Name: 3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H27N5O3 MolecularWeight: 337.41728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)NCCCN2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C16H27N5O3/c1-16(2,3)24-15(23)21-10-7-18-13(11-21)14(22)19-5-4-8-20-9-6-17-12-20/h6,9,12-13,18H,4-5,7-8,10-11H2,1-3H3,(H,19,22)