phenethyl N-[2-azanyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyridin-3-yl]carbamate

Systemtic Name: phenethyl N-[2-azanyl-6-[[3-(trifluoromethyl)phenyl]methylamino]pyridin-3-yl]carbamate Openeye Name: phenethyl N-[2-amino-6-[[3-(trifluoromethyl)phenyl]methylamino]-3-pyridyl]carbamate CAS Name: N-[2-amino-6-[[3-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamic acid phenethyl ester IUPAC Name: phenethyl N-[2-amino-6-[[3-(trifluoromethyl)phenyl]methylamino]pyridin-3-yl]carbamate Traditional Name: N-[2-amino-6-[[3-(trifluoromethyl)benzyl]amino]-3-pyridyl]carbamic acid phenethyl ester Formula: C22H21F3N4O2 MolecularWeight: 430.42295

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)NC2=C(N=C(C=C2)NCC3=CC(=CC=C3)C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)NC2=C(N=C(C=C2)NCC3=CC(=CC=C3)C(F)(F)F)N

InChI

InChI=1S/C22H21F3N4O2/c23-22(24,25)17-8-4-7-16(13-17)14-27-19-10-9-18(20(26)29-19)28-21(30)31-12-11-15-5-2-1-3-6-15/h1-10,13H,11-12,14H2,(H,28,30)(H3,26,27,29)