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

Systemtic Name: 1-[(3-methylpyridin-4-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(3-methyl-4-pyridyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-methyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-methylpyridin-4-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(3-methyl-4-pyridyl)-[3-(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=C2)C(F)(F)F)N3CCCNCC3

Isomeric SMILES

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

InChI

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