N-(3-chloranyl-4-methyl-phenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide Formula: C19H20ClF3N4O MolecularWeight: 412.83651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C19H20ClF3N4O/c1-13-3-5-15(11-16(13)20)25-18(28)27-8-2-7-26(9-10-27)17-6-4-14(12-24-17)19(21,22)23/h3-6,11-12H,2,7-10H2,1H3,(H,25,28)