1-[5-fluoranyl-4-(4-fluorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[5-fluoranyl-4-(4-fluorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[5-fluoro-4-(4-fluorophenyl)-2-methyl-1-oxo-3-isoquinolyl]urea CAS Name: 1-[5-fluoro-4-(4-fluorophenyl)-2-methyl-1-oxo-3-isoquinolinyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[5-fluoro-4-(4-fluorophenyl)-2-methyl-1-oxoisoquinolin-3-yl]urea Traditional Name: 1-benzyl-3-[5-fluoro-4-(4-fluorophenyl)-1-keto-2-methyl-3-isoquinolyl]urea Formula: C24H19F2N3O2 MolecularWeight: 419.423366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC=C2F)C3=CC=C(C=C3)F)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC=C2F)C3=CC=C(C=C3)F)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H19F2N3O2/c1-29-22(28-24(31)27-14-15-6-3-2-4-7-15)20(16-10-12-17(25)13-11-16)21-18(23(29)30)8-5-9-19(21)26/h2-13H,14H2,1H3,(H2,27,28,31)