3-(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-1-methyl-1-(phenylmethyl)urea

Systemtic Name: 3-(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-1-methyl-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)-1-methyl-urea CAS Name: 3-(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-1-methyl-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)-1-methylurea Traditional Name: 1-benzyl-3-(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)-1-methyl-urea Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)NC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)NC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O2/c1-28(16-17-9-5-3-6-10-17)25(31)27-23-22(18-11-7-4-8-12-18)21-15-19(26)13-14-20(21)24(30)29(23)2/h3-15H,16H2,1-2H3,(H,27,31)