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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-nitro-benzamide Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-2-18(22-11-10-15-6-3-4-7-17(15)14-22)13-21-20(24)16-8-5-9-19(12-16)23(25)26/h3-9,12,18H,2,10-11,13-14H2,1H3,(H,21,24)