tert-butyl 4-[4-[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-cyanoethyl(3-pyridylmethyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[2-cyanoethyl(3-pyridinylmethyl)amino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-cyanoethyl(3-pyridylmethyl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C23H29N5O3S/c1-23(2,3)31-22(30)27-12-7-18(8-13-27)20-26-19(16-32-20)21(29)28(11-5-9-24)15-17-6-4-10-25-14-17/h4,6,10,14,16,18H,5,7-8,11-13,15H2,1-3H3