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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(3-methylpyridin-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-methyl-4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-methyl-4-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-methylpyridin-4-yl)methyl]-1,4-diazepane Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-methyl-4-pyridyl)methyl]-1,4-diazepane Formula: C19H21ClF3N3 MolecularWeight: 383.83835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClF3N3/c1-13-12-25-7-5-15(13)18(26-9-2-6-24-8-10-26)14-3-4-17(20)16(11-14)19(21,22)23/h3-5,7,11-12,18,24H,2,6,8-10H2,1H3