tert-butyl N-[(3S)-1-[2-azanyl-4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-1-[2-azanyl-4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-1-[2-amino-4-(trifluoromethyl)phenyl]-3-piperidyl]carbamate CAS Name: N-[(3S)-1-[2-amino-4-(trifluoromethyl)phenyl]-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate Traditional Name: N-[(3S)-1-[2-amino-4-(trifluoromethyl)phenyl]-3-piperidyl]carbamic acid tert-butyl ester Formula: C17H24F3N3O2 MolecularWeight: 359.38657

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCN(C1)C2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C17H24F3N3O2/c1-16(2,3)25-15(24)22-12-5-4-8-23(10-12)14-7-6-11(9-13(14)21)17(18,19)20/h6-7,9,12H,4-5,8,10,21H2,1-3H3,(H,22,24)/t12-/m0/s1