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

Systemtic Name: 4-(3-methanoyl-4-nitro-phenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide Openeye Name: 4-(3-formyl-4-nitro-phenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide CAS Name: 4-(3-formyl-4-nitrophenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide IUPAC Name: 4-(3-formyl-4-nitrophenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide Traditional Name: 4-(3-formyl-4-nitro-phenoxy)-N-(1,2,3,4-tetrahydroisoquinolin-1-yl)butyramide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)NC(=O)CCCOC3=CC(=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

C1CNC(C2=CC=CC=C21)NC(=O)CCCOC3=CC(=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C20H21N3O5/c24-13-15-12-16(7-8-18(15)23(26)27)28-11-3-6-19(25)22-20-17-5-2-1-4-14(17)9-10-21-20/h1-2,4-5,7-8,12-13,20-21H,3,6,9-11H2,(H,22,25)