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

Systemtic Name: 4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide Openeye Name: 4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide CAS Name: 4-[3-(1-hydroxyethyl)-4-nitrophenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide IUPAC Name: 4-[3-(1-hydroxyethyl)-4-nitrophenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide Traditional Name: 4-[3-(1-hydroxyethyl)-4-nitro-phenoxy]-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butyramide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-14(25)18-13-16(8-9-19(18)24(27)28)29-12-4-7-20(26)23-21-17-6-3-2-5-15(17)10-11-22-21/h2-3,5-6,8-9,13-14,21-22,25H,4,7,10-12H2,1H3,(H,23,26)