1-[2-(4-bromophenyl)-2-oxidanyl-ethyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[2-(4-bromophenyl)-2-oxidanyl-ethyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[2-(4-bromophenyl)-2-hydroxy-ethyl]-3-(5-isoquinolyl)urea CAS Name: 1-[2-(4-bromophenyl)-2-hydroxyethyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[2-(4-bromophenyl)-2-hydroxyethyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[2-(4-bromophenyl)-2-hydroxy-ethyl]-3-(5-isoquinolyl)urea Formula: C18H16BrN3O2 MolecularWeight: 386.24254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O2/c19-14-6-4-12(5-7-14)17(23)11-21-18(24)22-16-3-1-2-13-10-20-9-8-15(13)16/h1-10,17,23H,11H2,(H2,21,22,24)