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

Systemtic Name: N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]ethanamide Openeye Name: N-[4-(3-acetamido-4-isoquinolyl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide CAS Name: N-[4-(3-acetamido-4-isoquinolinyl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide IUPAC Name: N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide Traditional Name: N-[4-(3-acetamido-4-isoquinolyl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide Formula: C23H24Cl2N4O2 MolecularWeight: 459.36826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24Cl2N4O2/c1-16(30)27-23-22(20-5-3-2-4-18(20)14-26-23)17-6-8-19(9-7-17)28-21(31)15-29(12-10-24)13-11-25/h2-9,14H,10-13,15H2,1H3,(H,28,31)(H,26,27,30)