1-[(2-chlorophenyl)methyl]-3-[4-(2,6-dimethylphenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]urea

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-[4-(2,6-dimethylphenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]urea Openeye Name: 1-[(2-chlorophenyl)methyl]-3-[4-(2,6-dimethylphenyl)-2-methyl-1-oxo-3-isoquinolyl]urea CAS Name: 1-[(2-chlorophenyl)methyl]-3-[4-(2,6-dimethylphenyl)-2-methyl-1-oxo-3-isoquinolinyl]urea IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-[4-(2,6-dimethylphenyl)-2-methyl-1-oxoisoquinolin-3-yl]urea Traditional Name: 1-(2-chlorobenzyl)-3-[4-(2,6-dimethylphenyl)-1-keto-2-methyl-3-isoquinolyl]urea Formula: C26H24ClN3O2 MolecularWeight: 445.94066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C26H24ClN3O2/c1-16-9-8-10-17(2)22(16)23-19-12-5-6-13-20(19)25(31)30(3)24(23)29-26(32)28-15-18-11-4-7-14-21(18)27/h4-14H,15H2,1-3H3,(H2,28,29,32)