N-phenyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propanamide

Systemtic Name: N-phenyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propanamide Openeye Name: N-phenyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propanamide CAS Name: N-phenyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide IUPAC Name: N-phenyl-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propanamide Traditional Name: N-phenyl-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propionamide Formula: C20H23F3N4O MolecularWeight: 392.41803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H23F3N4O/c21-20(22,23)16-7-8-18(24-15-16)27-11-4-10-26(13-14-27)12-9-19(28)25-17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14H2,(H,25,28)