N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(trifluoromethyl)benzamide Formula: C20H23F3N4O2 MolecularWeight: 408.41743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N4O2/c21-20(22,23)16-7-5-6-15(12-16)19(28)24-8-11-29-18-13-17(25-14-26-18)27-9-3-1-2-4-10-27/h5-7,12-14H,1-4,8-11H2,(H,24,28)