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

Systemtic Name: 4-azanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-nitro-benzamide Openeye Name: 4-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-nitro-benzamide CAS Name: 4-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-nitrobenzamide Traditional Name: 4-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-nitro-benzamide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c1-13(22-9-8-14-4-2-3-5-16(14)12-22)11-21-19(24)15-6-7-17(20)18(10-15)23(25)26/h2-7,10,13H,8-9,11-12,20H2,1H3,(H,21,24)