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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-[4-(4-fluorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-1-methyl-urea Openeye Name: 1-[(2-chlorophenyl)methyl]-3-[4-(4-fluorophenyl)-2-methyl-1-oxo-3-isoquinolyl]-1-methyl-urea CAS Name: 1-[(2-chlorophenyl)methyl]-3-[4-(4-fluorophenyl)-2-methyl-1-oxo-3-isoquinolinyl]-1-methylurea IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-[4-(4-fluorophenyl)-2-methyl-1-oxoisoquinolin-3-yl]-1-methylurea Traditional Name: 1-(2-chlorobenzyl)-3-[4-(4-fluorophenyl)-1-keto-2-methyl-3-isoquinolyl]-1-methyl-urea Formula: C25H21ClFN3O2 MolecularWeight: 449.904543

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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=C4Cl

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)NC(=O)N(C)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H21ClFN3O2/c1-29(15-17-7-3-6-10-21(17)26)25(32)28-23-22(16-11-13-18(27)14-12-16)19-8-4-5-9-20(19)24(31)30(23)2/h3-14H,15H2,1-2H3,(H,28,32)