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

Systemtic Name: N-[4-(3-azanylisoquinolin-4-yl)phenyl]-3-chloranyl-propanamide Openeye Name: N-[4-(3-amino-4-isoquinolyl)phenyl]-3-chloro-propanamide CAS Name: N-[4-(3-amino-4-isoquinolinyl)phenyl]-3-chloropropanamide IUPAC Name: N-[4-(3-aminoisoquinolin-4-yl)phenyl]-3-chloropropanamide Traditional Name: N-[4-(3-amino-4-isoquinolyl)phenyl]-3-chloro-propionamide Formula: C18H16ClN3O MolecularWeight: 325.79214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O/c19-10-9-16(23)22-14-7-5-12(6-8-14)17-15-4-2-1-3-13(15)11-21-18(17)20/h1-8,11H,9-10H2,(H2,20,21)(H,22,23)