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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methyl-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-3-18(23-12-11-16-7-4-5-8-17(16)14-23)13-22-21(25)19-9-6-10-20(15(19)2)24(26)27/h4-10,18H,3,11-14H2,1-2H3,(H,22,25)