(2R)-2-azanyl-N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-3-pyridin-4-yl-propanamide

Systemtic Name: (2R)-2-azanyl-N-(7-chloranyl-1-oxidanylidene-2H-isoquinolin-6-yl)-3-pyridin-4-yl-propanamide Openeye Name: (2R)-2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-(4-pyridyl)propanamide CAS Name: (2R)-2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-pyridin-4-ylpropanamide IUPAC Name: (2R)-2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-pyridin-4-ylpropanamide Traditional Name: (2R)-2-amino-N-(7-chloro-1-keto-2H-isoquinolin-6-yl)-3-(4-pyridyl)propionamide Formula: C17H15ClN4O2 MolecularWeight: 342.7796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=O)C2=CC(=C(C=C21)NC(=O)C(CC3=CC=NC=C3)N)Cl

Isomeric SMILES

C1=CNC(=O)C2=CC(=C(C=C21)NC(=O)[C@@H](CC3=CC=NC=C3)N)Cl

InChI

InChI=1S/C17H15ClN4O2/c18-13-9-12-11(3-6-21-16(12)23)8-15(13)22-17(24)14(19)7-10-1-4-20-5-2-10/h1-6,8-9,14H,7,19H2,(H,21,23)(H,22,24)/t14-/m1/s1