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

Systemtic Name: 3-cyano-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 3-cyano-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3-cyano-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3-cyano-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 3-cyano-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c1-14(2)21(26)24-9-8-16-6-7-19(11-18(16)13-24)23-20(25)17-5-3-4-15(10-17)12-22/h3-7,10-11,14H,8-9,13H2,1-2H3,(H,23,25)