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

Systemtic Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]isoquinolin-3-yl]ethanamide Openeye Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]-3-isoquinolyl]acetamide CAS Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]-3-isoquinolinyl]acetamide IUPAC Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]isoquinolin-3-yl]acetamide Traditional Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]-3-isoquinolyl]acetamide Formula: C21H21Cl2N3O MolecularWeight: 402.31694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O/c1-15(27)25-21-20(19-5-3-2-4-17(19)14-24-21)16-6-8-18(9-7-16)26(12-10-22)13-11-23/h2-9,14H,10-13H2,1H3,(H,24,25,27)