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

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

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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)NCC4=CC=CC=C4Cl

Isomeric SMILES

CCC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)NCC4=CC=CC=C4Cl

InChI

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