3,4-dihydro-2H-chromen-3-yl-[4-[3-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]methanone

Systemtic Name: 3,4-dihydro-2H-chromen-3-yl-[4-[3-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: chroman-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1-benzopyran-3-yl-[4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-chromen-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone Traditional Name: chroman-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazino]methanone Formula: C22H21F3N2O3 MolecularWeight: 418.40895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3OC2)C(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2CC3=CC=CC=C3OC2)C(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O3/c23-22(24,25)18-6-3-5-16(13-18)20(28)26-8-10-27(11-9-26)21(29)17-12-15-4-1-2-7-19(15)30-14-17/h1-7,13,17H,8-12,14H2