N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-3-chloranyl-propanamide

Systemtic Name: N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-3-chloranyl-propanamide Openeye Name: N-[4-(3-acetamido-4-isoquinolyl)phenyl]-3-chloro-propanamide CAS Name: N-[4-(3-acetamido-4-isoquinolinyl)phenyl]-3-chloropropanamide IUPAC Name: N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-3-chloropropanamide Traditional Name: N-[4-(3-acetamido-4-isoquinolyl)phenyl]-3-chloro-propionamide Formula: C20H18ClN3O2 MolecularWeight: 367.82882

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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)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2/c1-13(25)23-20-19(17-5-3-2-4-15(17)12-22-20)14-6-8-16(9-7-14)24-18(26)10-11-21/h2-9,12H,10-11H2,1H3,(H,24,26)(H,22,23,25)