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

Systemtic Name: 4-methyl-3-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-methyl-3-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 4-methyl-3-nitro-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 4-methyl-3-nitro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 4-methyl-3-nitro-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4/c1-3-19(24)22-9-8-14-6-7-17(10-16(14)12-22)21-20(25)15-5-4-13(2)18(11-15)23(26)27/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,25)