6-chloranyl-N-pyrimidin-5-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]-1,2-benzoxazole-7-carboxamide

Systemtic Name: 6-chloranyl-N-pyrimidin-5-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]-1,2-benzoxazole-7-carboxamide Openeye Name: 6-chloro-N-pyrimidin-5-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]-1,2-benzoxazole-7-carboxamide CAS Name: 6-chloro-N-(5-pyrimidinyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]-1,2-benzoxazole-7-carboxamide IUPAC Name: 6-chloro-N-pyrimidin-5-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]-1,2-benzoxazole-7-carboxamide Traditional Name: 6-chloro-N-(5-pyrimidyl)-3-[[3-(trifluoromethyl)benzyl]amino]indoxazene-7-carboxamide Formula: C20H13ClF3N5O2 MolecularWeight: 447.79773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC2=NOC3=C2C=CC(=C3C(=O)NC4=CN=CN=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC2=NOC3=C2C=CC(=C3C(=O)NC4=CN=CN=C4)Cl

InChI

InChI=1S/C20H13ClF3N5O2/c21-15-5-4-14-17(16(15)19(30)28-13-8-25-10-26-9-13)31-29-18(14)27-7-11-2-1-3-12(6-11)20(22,23)24/h1-6,8-10H,7H2,(H,27,29)(H,28,30)