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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-phenethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-phenethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-phenethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-phenethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-phenethyl-1,4-diazepane-1-carboxamide Formula: C20H22ClF3N4O MolecularWeight: 426.86309

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCCC2=CC=CC=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H22ClF3N4O/c21-17-13-16(20(22,23)24)14-26-18(17)27-9-4-10-28(12-11-27)19(29)25-8-7-15-5-2-1-3-6-15/h1-3,5-6,13-14H,4,7-12H2,(H,25,29)