2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-N-(2-fluorophenyl)-5-nitro-benzamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-N-(2-fluorophenyl)-5-nitro-benzamide Openeye Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitro-benzamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-N-(2-fluorophenyl)-5-nitrobenzamide IUPAC Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitrobenzamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2-fluorophenyl)-5-nitro-benzamide Formula: C24H21FN4O4 MolecularWeight: 448.446343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C24H21FN4O4/c25-20-7-3-4-8-22(20)27-24(31)19-13-18(29(32)33)9-10-21(19)26-23(30)15-28-12-11-16-5-1-2-6-17(16)14-28/h1-10,13H,11-12,14-15H2,(H,26,30)(H,27,31)