3-methoxy-4-[[4-[(3-oxidanylidene-1H-2-benzofuran-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-propyl-benzamide

Systemtic Name: 3-methoxy-4-[[4-[(3-oxidanylidene-1H-2-benzofuran-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-propyl-benzamide Openeye Name: 3-methoxy-4-[[4-[(3-oxo-1H-isobenzofuran-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-propyl-benzamide CAS Name: 3-methoxy-4-[[4-[(3-oxo-1H-isobenzofuran-4-yl)amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-N-propylbenzamide IUPAC Name: 3-methoxy-4-[[4-[(3-oxo-1H-2-benzofuran-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-propylbenzamide Traditional Name: 4-[[4-[(3-ketophthalan-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-propyl-benzamide Formula: C24H22F3N5O4 MolecularWeight: 501.45779

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC4=C3C(=O)OC4)C(F)(F)F)OC

Isomeric SMILES

CCCNC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC4=C3C(=O)OC4)C(F)(F)F)OC

InChI

InChI=1S/C24H22F3N5O4/c1-3-9-28-21(33)13-7-8-16(18(10-13)35-2)31-23-29-11-15(24(25,26)27)20(32-23)30-17-6-4-5-14-12-36-22(34)19(14)17/h4-8,10-11H,3,9,12H2,1-2H3,(H,28,33)(H2,29,30,31,32)