1-[2-(3-bromophenyl)ethyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[2-(3-bromophenyl)ethyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[2-(3-bromophenyl)ethyl]-3-(5-isoquinolyl)urea CAS Name: 1-[2-(3-bromophenyl)ethyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[2-(3-bromophenyl)ethyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[2-(3-bromophenyl)ethyl]-3-(5-isoquinolyl)urea Formula: C18H16BrN3O MolecularWeight: 370.24314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O/c19-15-5-1-3-13(11-15)7-10-21-18(23)22-17-6-2-4-14-12-20-9-8-16(14)17/h1-6,8-9,11-12H,7,10H2,(H2,21,22,23)