4-(3-ethanoyl-4-nitro-phenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide

Systemtic Name: 4-(3-ethanoyl-4-nitro-phenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide Openeye Name: 4-(3-acetyl-4-nitro-phenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide CAS Name: 4-(3-acetyl-4-nitrophenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide IUPAC Name: 4-(3-acetyl-4-nitrophenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide Traditional Name: 4-(3-acetyl-4-nitro-phenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butyramide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/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/h2-3,5-6,8-9,13,21-22H,4,7,10-12H2,1H3,(H,23,26)