N-[4-[4-[bis(2-hydroxyethyl)amino]phenyl]-1-bromanyl-isoquinolin-3-yl]ethanamide

Systemtic Name: N-[4-[4-[bis(2-hydroxyethyl)amino]phenyl]-1-bromanyl-isoquinolin-3-yl]ethanamide Openeye Name: N-[4-[4-[bis(2-hydroxyethyl)amino]phenyl]-1-bromo-3-isoquinolyl]acetamide CAS Name: N-[4-[4-[bis(2-hydroxyethyl)amino]phenyl]-1-bromo-3-isoquinolinyl]acetamide IUPAC Name: N-[4-[4-[bis(2-hydroxyethyl)amino]phenyl]-1-bromoisoquinolin-3-yl]acetamide Traditional Name: N-[4-[4-[bis(2-hydroxyethyl)amino]phenyl]-1-bromo-3-isoquinolyl]acetamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=CC=CC=C2C(=N1)Br)C3=CC=C(C=C3)N(CCO)CCO

Isomeric SMILES

CC(=O)NC1=C(C2=CC=CC=C2C(=N1)Br)C3=CC=C(C=C3)N(CCO)CCO

InChI

InChI=1S/C21H22BrN3O3/c1-14(28)23-21-19(17-4-2-3-5-18(17)20(22)24-21)15-6-8-16(9-7-15)25(10-12-26)11-13-27/h2-9,26-27H,10-13H2,1H3,(H,23,24,28)