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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-[2-methyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]urea Openeye Name: 1-[(2-chlorophenyl)methyl]-3-[2-methyl-4-(o-tolyl)-1-oxo-3-isoquinolyl]urea CAS Name: 1-[(2-chlorophenyl)methyl]-3-[2-methyl-4-(2-methylphenyl)-1-oxo-3-isoquinolinyl]urea IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-[2-methyl-4-(2-methylphenyl)-1-oxoisoquinolin-3-yl]urea Traditional Name: 1-(2-chlorobenzyl)-3-[1-keto-2-methyl-4-(o-tolyl)-3-isoquinolyl]urea Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)NCC4=CC=CC=C4Cl

InChI

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