1-[1-[3-bromanyl-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-[3-bromanyl-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea Openeye Name: 1-[1-[3-bromo-5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]-3-(1-methyl-5-isoquinolyl)urea CAS Name: 1-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-3-(1-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-[3-bromo-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-3-(1-methylisoquinolin-5-yl)urea Traditional Name: 1-[1-[3-bromo-5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]-3-(1-methyl-5-isoquinolyl)urea Formula: C22H21BrF3N5O MolecularWeight: 508.33425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Br

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Br

InChI

InChI=1S/C22H21BrF3N5O/c1-13-16-3-2-4-19(17(16)5-8-27-13)30-21(32)29-15-6-9-31(10-7-15)20-18(23)11-14(12-28-20)22(24,25)26/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H2,29,30,32)