1-[(4-bromanyl-3-methyl-phenyl)methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(4-bromanyl-3-methyl-phenyl)methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(4-bromo-3-methyl-phenyl)methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[(4-bromo-3-methylphenyl)methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(4-bromo-3-methylphenyl)methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-(4-bromo-3-methyl-benzyl)-3-(5-isoquinolyl)urea Formula: C18H16BrN3O MolecularWeight: 370.24314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)NC2=CC=CC3=C2C=CN=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)NC2=CC=CC3=C2C=CN=C3)Br

InChI

InChI=1S/C18H16BrN3O/c1-12-9-13(5-6-16(12)19)10-21-18(23)22-17-4-2-3-14-11-20-8-7-15(14)17/h2-9,11H,10H2,1H3,(H2,21,22,23)