1-[(3-methylpyridin-4-yl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methylpyridin-4-yl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(3-methyl-4-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-methyl-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-methylpyridin-4-yl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(3-methyl-4-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C19H22F3N3 MolecularWeight: 349.39329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCNCC3

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCNCC3

InChI

InChI=1S/C19H22F3N3/c1-14-13-24-9-7-15(14)18(25-11-4-8-23-10-12-25)16-5-2-3-6-17(16)19(20,21)22/h2-3,5-7,9,13,18,23H,4,8,10-12H2,1H3