1-[2-(4-bromanyl-2-oxidanyl-phenyl)ethyl]-3-(3-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[2-(4-bromanyl-2-oxidanyl-phenyl)ethyl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[2-(4-bromo-2-hydroxy-phenyl)ethyl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[2-(4-bromo-2-hydroxyphenyl)ethyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[2-(4-bromo-2-hydroxyphenyl)ethyl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[2-(4-bromo-2-hydroxy-phenyl)ethyl]-3-(3-methyl-5-isoquinolyl)urea Formula: C19H18BrN3O2 MolecularWeight: 400.26912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCCC3=C(C=C(C=C3)Br)O

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCCC3=C(C=C(C=C3)Br)O

InChI

InChI=1S/C19H18BrN3O2/c1-12-9-16-14(11-22-12)3-2-4-17(16)23-19(25)21-8-7-13-5-6-15(20)10-18(13)24/h2-6,9-11,24H,7-8H2,1H3,(H2,21,23,25)