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

Systemtic Name: N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-3-[bis(2-chloroethyl)amino]propanamide Openeye Name: N-[4-(3-acetamido-4-isoquinolyl)phenyl]-3-[bis(2-chloroethyl)amino]propanamide CAS Name: N-[4-(3-acetamido-4-isoquinolinyl)phenyl]-3-[bis(2-chloroethyl)amino]propanamide IUPAC Name: N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-3-[bis(2-chloroethyl)amino]propanamide Traditional Name: N-[4-(3-acetamido-4-isoquinolyl)phenyl]-3-[bis(2-chloroethyl)amino]propionamide Formula: C24H26Cl2N4O2 MolecularWeight: 473.39484

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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)CCN(CCCl)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C24H26Cl2N4O2/c1-17(31)28-24-23(21-5-3-2-4-19(21)16-27-24)18-6-8-20(9-7-18)29-22(32)10-13-30(14-11-25)15-12-26/h2-9,16H,10-15H2,1H3,(H,29,32)(H,27,28,31)