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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-[4-(2-ethylphenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-1-methyl-urea Openeye Name: 1-[(2-chlorophenyl)methyl]-3-[4-(2-ethylphenyl)-2-methyl-1-oxo-3-isoquinolyl]-1-methyl-urea CAS Name: 1-[(2-chlorophenyl)methyl]-3-[4-(2-ethylphenyl)-2-methyl-1-oxo-3-isoquinolinyl]-1-methylurea IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-[4-(2-ethylphenyl)-2-methyl-1-oxoisoquinolin-3-yl]-1-methylurea Traditional Name: 1-(2-chlorobenzyl)-3-[4-(2-ethylphenyl)-1-keto-2-methyl-3-isoquinolyl]-1-methyl-urea Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)N(C)CC4=CC=CC=C4Cl

Isomeric SMILES

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)N(C)CC4=CC=CC=C4Cl

InChI

InChI=1S/C27H26ClN3O2/c1-4-18-11-5-7-13-20(18)24-21-14-8-9-15-22(21)26(32)31(3)25(24)29-27(33)30(2)17-19-12-6-10-16-23(19)28/h5-16H,4,17H2,1-3H3,(H,29,33)