tert-butyl 4-[2-(1-aminocarbonylpiperidin-4-yl)ethanoyl]-3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1-aminocarbonylpiperidin-4-yl)ethanoyl]-3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1-carbamoyl-4-piperidyl)acetyl]-3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylate CAS Name: 4-[2-(1-carbamoyl-4-piperidinyl)-1-oxoethyl]-3-[[3-(1-imidazolyl)propylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1-carbamoylpiperidin-4-yl)acetyl]-3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylate Traditional Name: 4-[2-(1-carbamoyl-4-piperidyl)acetyl]-3-(3-imidazol-1-ylpropylcarbamoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H39N7O5 MolecularWeight: 505.61036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCCN2C=CN=C2)C(=O)CC3CCN(CC3)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCCCN2C=CN=C2)C(=O)CC3CCN(CC3)C(=O)N

InChI

InChI=1S/C24H39N7O5/c1-24(2,3)36-23(35)30-13-14-31(20(32)15-18-5-10-29(11-6-18)22(25)34)19(16-30)21(33)27-7-4-9-28-12-8-26-17-28/h8,12,17-19H,4-7,9-11,13-16H2,1-3H3,(H2,25,34)(H,27,33)