1-[(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea Openeye Name: 1-[(2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3-(m-tolyl)urea CAS Name: 1-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea Traditional Name: 1-[(1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3-(m-tolyl)urea Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2/c1-17-9-8-12-19(15-17)27-25(30)26-16-22-23(18-10-4-3-5-11-18)20-13-6-7-14-21(20)24(29)28(22)2/h3-15H,16H2,1-2H3,(H2,26,27,30)