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

Systemtic Name: 3-[4-(4-fluorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-1-methyl-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-(4-fluorophenyl)-2-methyl-1-oxo-3-isoquinolyl]-1-methyl-urea CAS Name: 3-[4-(4-fluorophenyl)-2-methyl-1-oxo-3-isoquinolinyl]-1-methyl-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-(4-fluorophenyl)-2-methyl-1-oxoisoquinolin-3-yl]-1-methylurea Traditional Name: 1-benzyl-3-[4-(4-fluorophenyl)-1-keto-2-methyl-3-isoquinolyl]-1-methyl-urea Formula: C25H22FN3O2 MolecularWeight: 415.459483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)NC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)NC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C25H22FN3O2/c1-28(16-17-8-4-3-5-9-17)25(31)27-23-22(18-12-14-19(26)15-13-18)20-10-6-7-11-21(20)24(30)29(23)2/h3-15H,16H2,1-2H3,(H,27,31)