3-cyano-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 3-cyano-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 3-cyano-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 3-cyano-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3-cyano-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 3-cyano-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N3O2/c1-2-19(24)23-9-8-15-6-7-18(11-17(15)13-23)22-20(25)16-5-3-4-14(10-16)12-21/h3-7,10-11H,2,8-9,13H2,1H3,(H,22,25)