(2-iodanyl-3-methyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (2-iodanyl-3-methyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: (2-iodo-3-methyl-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: (2-iodo-3-methylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (2-iodo-3-methylphenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: (2-iodo-3-methyl-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C18H17F3IN3O MolecularWeight: 475.24676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3IN3O/c1-12-3-2-4-14(16(12)22)17(26)25-9-7-24(8-10-25)15-6-5-13(11-23-15)18(19,20)21/h2-6,11H,7-10H2,1H3