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

Systemtic Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-bromanyl-isoquinolin-3-yl]ethanamide Openeye Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-bromo-3-isoquinolyl]acetamide CAS Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-bromo-3-isoquinolinyl]acetamide IUPAC Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-bromoisoquinolin-3-yl]acetamide Traditional Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-bromo-3-isoquinolyl]acetamide Formula: C21H20BrCl2N3O MolecularWeight: 481.213

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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(CCCl)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrCl2N3O/c1-14(28)25-21-19(17-4-2-3-5-18(17)20(22)26-21)15-6-8-16(9-7-15)27(12-10-23)13-11-24/h2-9H,10-13H2,1H3,(H,25,26,28)