1-[(4-chlorophenyl)methyl]-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-[(4-chlorophenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea Traditional Name: 1-(4-chlorobenzyl)-3-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)urea Formula: C26H24ClN3O2 MolecularWeight: 445.94066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

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