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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-2-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furyl)ethyl]-2-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furanyl)ethyl]-2-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-2-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furyl)ethyl]-2-nitro-benzamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C22H21N3O4/c26-22(18-8-3-4-9-19(18)25(27)28)23-14-20(21-10-5-13-29-21)24-12-11-16-6-1-2-7-17(16)15-24/h1-10,13,20H,11-12,14-15H2,(H,23,26)