tert-butyl N-[(3S,4S)-4-(4-pyridin-3-yl-1,2,3-triazol-1-yl)piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S,4S)-4-(4-pyridin-3-yl-1,2,3-triazol-1-yl)piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3S,4S)-4-[4-(3-pyridyl)triazol-1-yl]-3-piperidyl]carbamate CAS Name: N-[(3S,4S)-4-[4-(3-pyridinyl)-1-triazolyl]-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S,4S)-4-(4-pyridin-3-yltriazol-1-yl)piperidin-3-yl]carbamate Traditional Name: N-[(3S,4S)-4-[4-(3-pyridyl)triazol-1-yl]-3-piperidyl]carbamic acid tert-butyl ester Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CNCCC1N2C=C(N=N2)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CNCC[C@@H]1N2C=C(N=N2)C3=CN=CC=C3

InChI

InChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)20-13-10-19-8-6-15(13)23-11-14(21-22-23)12-5-4-7-18-9-12/h4-5,7,9,11,13,15,19H,6,8,10H2,1-3H3,(H,20,24)/t13-,15-/m0/s1