(2R)-2-azanyl-N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-3-phenyl-propanamide

Systemtic Name: (2R)-2-azanyl-N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-3-phenyl-propanamide Openeye Name: (2R)-2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-phenyl-propanamide CAS Name: (2R)-2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-phenylpropanamide IUPAC Name: (2R)-2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-phenylpropanamide Traditional Name: (2R)-2-amino-N-(7-chloro-1-keto-2H-isoquinolin-6-yl)-3-phenyl-propionamide Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=C(C=C3C(=C2)C=CNC3=O)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)NC2=C(C=C3C(=C2)C=CNC3=O)Cl)N

InChI

InChI=1S/C18H16ClN3O2/c19-14-10-13-12(6-7-21-17(13)23)9-16(14)22-18(24)15(20)8-11-4-2-1-3-5-11/h1-7,9-10,15H,8,20H2,(H,21,23)(H,22,24)/t15-/m1/s1