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

Systemtic Name: tert-butyl N-[(3S)-1-[2-azanyl-4-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[(3S)-1-[2-amino-4-(trifluoromethyl)phenyl]-3-piperidyl]-N-methyl-carbamate CAS Name: N-[(3S)-1-[2-amino-4-(trifluoromethyl)phenyl]-3-piperidinyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylcarbamate Traditional Name: N-[(3S)-1-[2-amino-4-(trifluoromethyl)phenyl]-3-piperidyl]-N-methyl-carbamic acid tert-butyl ester Formula: C18H26F3N3O2 MolecularWeight: 373.41315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1CCCN(C1)C2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

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

InChI

InChI=1S/C18H26F3N3O2/c1-17(2,3)26-16(25)23(4)13-6-5-9-24(11-13)15-8-7-12(10-14(15)22)18(19,20)21/h7-8,10,13H,5-6,9,11,22H2,1-4H3/t13-/m0/s1