N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-2-methoxy-5-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H25N3O4/c1-21(2,23-11-10-15-6-4-5-7-16(15)13-23)14-22-20(25)18-12-17(24(26)27)8-9-19(18)28-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,25)