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

Systemtic Name: N-[4-(3-azanylisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]ethanamide Openeye Name: N-[4-(3-amino-4-isoquinolyl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide CAS Name: N-[4-(3-amino-4-isoquinolinyl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide IUPAC Name: N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide Traditional Name: N-[4-(3-amino-4-isoquinolyl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide Formula: C21H22Cl2N4O MolecularWeight: 417.33158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC(=C2C3=CC=C(C=C3)NC(=O)CN(CCCl)CCCl)N

Isomeric SMILES

C1=CC=C2C(=C1)C=NC(=C2C3=CC=C(C=C3)NC(=O)CN(CCCl)CCCl)N

InChI

InChI=1S/C21H22Cl2N4O/c22-9-11-27(12-10-23)14-19(28)26-17-7-5-15(6-8-17)20-18-4-2-1-3-16(18)13-25-21(20)24/h1-8,13H,9-12,14H2,(H2,24,25)(H,26,28)