3-methyl-4-oxidanylidene-4-[4-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanal

Systemtic Name: 3-methyl-4-oxidanylidene-4-[4-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanal Openeye Name: 3-methyl-4-oxo-4-[4-(4-pyridyl)-2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanal CAS Name: 3-methyl-4-oxo-4-[4-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butanal IUPAC Name: 3-methyl-4-oxo-4-[4-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanal Traditional Name: 4-keto-3-methyl-4-[4-(4-pyridyl)-2-[3-(trifluoromethyl)phenyl]piperazino]butyraldehyde Formula: C21H22F3N3O2 MolecularWeight: 405.41349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)C(=O)N1CCN(CC1C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC=C3

Isomeric SMILES

CC(CC=O)C(=O)N1CCN(CC1C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC=C3

InChI

InChI=1S/C21H22F3N3O2/c1-15(7-12-28)20(29)27-11-10-26(18-5-8-25-9-6-18)14-19(27)16-3-2-4-17(13-16)21(22,23)24/h2-6,8-9,12-13,15,19H,7,10-11,14H2,1H3