[3,5-bis(trifluoromethyl)phenyl]-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C21H22F6N4O MolecularWeight: 460.415999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C)C

InChI

InChI=1S/C21H22F6N4O/c1-12-13(2)28-14(3)29-18(12)30-5-4-6-31(8-7-30)19(32)15-9-16(20(22,23)24)11-17(10-15)21(25,26)27/h9-11H,4-8H2,1-3H3