1-[(3-bromophenyl)methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(3-bromophenyl)methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(3-bromophenyl)methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[(3-bromophenyl)methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(3-bromophenyl)methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-(3-bromobenzyl)-3-(5-isoquinolyl)urea Formula: C17H14BrN3O MolecularWeight: 356.21656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O/c18-14-5-1-3-12(9-14)10-20-17(22)21-16-6-2-4-13-11-19-8-7-15(13)16/h1-9,11H,10H2,(H2,20,21,22)