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

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(4-bromophenyl)methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[(4-bromophenyl)methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(4-bromophenyl)methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-(4-bromobenzyl)-3-(5-isoquinolyl)urea Formula: C17H14BrN3O MolecularWeight: 356.21656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCC3=CC=C(C=C3)Br

InChI

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