[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

Systemtic Name: [4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone Openeye Name: [3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone CAS Name: [3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone Traditional Name: [3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone Formula: C22H19Cl2F3N4O2 MolecularWeight: 499.31307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C22H19Cl2F3N4O2/c1-13-18(19(29-33-13)15-5-2-3-6-16(15)23)21(32)31-8-4-7-30(9-10-31)20-17(24)11-14(12-28-20)22(25,26)27/h2-3,5-6,11-12H,4,7-10H2,1H3