1-(5-chloranyl-6-methyl-2-pyridin-3-yl-pyrimidin-4-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-(5-chloranyl-6-methyl-2-pyridin-3-yl-pyrimidin-4-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-[5-chloro-6-methyl-2-(3-pyridyl)pyrimidin-4-yl]-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-[5-chloro-6-methyl-2-(3-pyridinyl)-4-pyrimidinyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-(5-chloro-6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-[5-chloro-6-methyl-2-(3-pyridyl)pyrimidin-4-yl]-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane Formula: C21H20ClF3N6 MolecularWeight: 448.87191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CN=CC=C2)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CN=CC=C2)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F)Cl

InChI

InChI=1S/C21H20ClF3N6/c1-14-18(22)20(29-19(28-14)15-4-2-7-26-12-15)31-9-3-8-30(10-11-31)17-6-5-16(13-27-17)21(23,24)25/h2,4-7,12-13H,3,8-11H2,1H3