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

Systemtic Name: 3-chloranyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 3-chloro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3-chloro-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3-chloro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 3-chloro-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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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)Cl

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O2/c1-13(2)20(25)23-9-8-14-6-7-18(11-16(14)12-23)22-19(24)15-4-3-5-17(21)10-15/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,22,24)