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

Systemtic Name: 3-[4-(4-fluoranyl-2-methyl-phenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-1-methyl-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-(4-fluoro-2-methyl-phenyl)-2-methyl-1-oxo-3-isoquinolyl]-1-methyl-urea CAS Name: 3-[4-(4-fluoro-2-methylphenyl)-2-methyl-1-oxo-3-isoquinolinyl]-1-methyl-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-(4-fluoro-2-methylphenyl)-2-methyl-1-oxoisoquinolin-3-yl]-1-methylurea Traditional Name: 1-benzyl-3-[4-(4-fluoro-2-methyl-phenyl)-1-keto-2-methyl-3-isoquinolyl]-1-methyl-urea Formula: C26H24FN3O2 MolecularWeight: 429.486063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C26H24FN3O2/c1-17-15-19(27)13-14-20(17)23-21-11-7-8-12-22(21)25(31)30(3)24(23)28-26(32)29(2)16-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3,(H,28,32)