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

Systemtic Name: N-naphthalen-1-yl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(1-naphthyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide CAS Name: N-(1-naphthalenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-naphthalen-1-yl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(1-naphthyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carboxamide Formula: C22H21F3N4O MolecularWeight: 414.42355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O/c23-22(24,25)17-9-10-20(26-15-17)28-11-4-12-29(14-13-28)21(30)27-19-8-3-6-16-5-1-2-7-18(16)19/h1-3,5-10,15H,4,11-14H2,(H,27,30)