1-(2-butyl-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-3-(3-methylphenyl)urea

Systemtic Name: 1-(2-butyl-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-3-(3-methylphenyl)urea Openeye Name: 1-(2-butyl-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolyl)-3-(m-tolyl)urea CAS Name: 1-(2-butyl-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinyl)-3-(3-methylphenyl)urea IUPAC Name: 1-(2-butyl-6,7-dimethyl-1-oxo-4-phenylisoquinolin-3-yl)-3-(3-methylphenyl)urea Traditional Name: 1-(2-butyl-1-keto-6,7-dimethyl-4-phenyl-3-isoquinolyl)-3-(m-tolyl)urea Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCCCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C29H31N3O2/c1-5-6-15-32-27(31-29(34)30-23-14-10-11-19(2)16-23)26(22-12-8-7-9-13-22)24-17-20(3)21(4)18-25(24)28(32)33/h7-14,16-18H,5-6,15H2,1-4H3,(H2,30,31,34)