N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-(4-fluoranyl-3-nitro-phenyl)ethanediamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-N'-(4-fluoranyl-3-nitro-phenyl)ethanediamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-(4-fluoro-3-nitro-phenyl)oxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-N'-(4-fluoro-3-nitro-phenyl)oxamide Formula: C23H21FN4O4S MolecularWeight: 468.500643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C4=CSC=C4

InChI

InChI=1S/C23H21FN4O4S/c24-19-6-5-18(11-20(19)28(31)32)26-23(30)22(29)25-12-21(17-8-10-33-14-17)27-9-7-15-3-1-2-4-16(15)13-27/h1-6,8,10-11,14,21H,7,9,12-13H2,(H,25,29)(H,26,30)