N-[4-(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)butyl]ethanamide

Systemtic Name: N-[4-(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)butyl]ethanamide Openeye Name: N-[4-(6-chloro-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)butyl]acetamide CAS Name: N-[4-[6-chloro-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolinyl]butyl]acetamide IUPAC Name: N-[4-(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)butyl]acetamide Traditional Name: N-[4-(6-chloro-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)butyl]acetamide Formula: C24H25ClN2O3 MolecularWeight: 424.9199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CCCCNC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CCCCNC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C24H25ClN2O3/c1-3-21(29)23-22(17-9-5-4-6-10-17)20-15-18(25)11-12-19(20)24(30)27(23)14-8-7-13-26-16(2)28/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3,(H,26,28)