7-[2-(1-hydroxyethyl)-3-nitro-phenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)heptanamide

Systemtic Name: 7-[2-(1-hydroxyethyl)-3-nitro-phenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)heptanamide Openeye Name: 7-[2-(1-hydroxyethyl)-3-nitro-phenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)heptanamide CAS Name: 7-[2-(1-hydroxyethyl)-3-nitrophenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)heptanamide IUPAC Name: 7-[2-(1-hydroxyethyl)-3-nitrophenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)heptanamide Traditional Name: 7-[2-(1-hydroxyethyl)-3-nitro-phenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)enanthamide Formula: C24H31N3O5 MolecularWeight: 441.52004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1OCCCCCCC(=O)NC2C3=CC=CC=C3CCN2)[N+](=O)[O-])O

Isomeric SMILES

CC(C1=C(C=CC=C1OCCCCCCC(=O)NC2C3=CC=CC=C3CCN2)[N+](=O)[O-])O

InChI

InChI=1S/C24H31N3O5/c1-17(28)23-20(27(30)31)11-8-12-21(23)32-16-7-3-2-4-13-22(29)26-24-19-10-6-5-9-18(19)14-15-25-24/h5-6,8-12,17,24-25,28H,2-4,7,13-16H2,1H3,(H,26,29)