tert-butyl N-[2-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[2-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[2-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)-3-piperidyl]carbamate CAS Name: N-[2-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-3-yl]carbamate Traditional Name: N-[2-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)-3-piperidyl]carbamic acid tert-butyl ester Formula: C19H27N5O2 MolecularWeight: 357.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCN(C1C2=CC=CC=C2)CC3=NC=NN3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCN(C1C2=CC=CC=C2)CC3=NC=NN3

InChI

InChI=1S/C19H27N5O2/c1-19(2,3)26-18(25)22-15-10-7-11-24(12-16-20-13-21-23-16)17(15)14-8-5-4-6-9-14/h4-6,8-9,13,15,17H,7,10-12H2,1-3H3,(H,22,25)(H,20,21,23)