1-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]-3-(4-nitrophenyl)urea Openeye Name: 1-(4-nitrophenyl)-3-[[5-(o-tolyl)-8-isoquinolyl]methyl]urea CAS Name: 1-[[5-(2-methylphenyl)-8-isoquinolinyl]methyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]-3-(4-nitrophenyl)urea Traditional Name: 1-(4-nitrophenyl)-3-[[5-(o-tolyl)-8-isoquinolyl]methyl]urea Formula: C24H20N4O3 MolecularWeight: 412.4406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O3/c1-16-4-2-3-5-20(16)21-11-6-17(23-15-25-13-12-22(21)23)14-26-24(29)27-18-7-9-19(10-8-18)28(30)31/h2-13,15H,14H2,1H3,(H2,26,27,29)