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

Systemtic Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]urea Openeye Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[2-(trifluoromethyl)pyrimidin-4-yl]-4-piperidyl]urea CAS Name: 1-(1-methyl-5-isoquinolinyl)-3-[1-[2-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]urea IUPAC Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]urea Traditional Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[2-(trifluoromethyl)pyrimidin-4-yl]-4-piperidyl]urea Formula: C21H21F3N6O MolecularWeight: 430.42625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N6O/c1-13-15-3-2-4-17(16(15)5-9-25-13)28-20(31)27-14-7-11-30(12-8-14)18-6-10-26-19(29-18)21(22,23)24/h2-6,9-10,14H,7-8,11-12H2,1H3,(H2,27,28,31)