N-[3,5-bis(fluoranyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide Openeye Name: N-(3,5-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide CAS Name: N-(3,5-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide IUPAC Name: N-(3,5-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide Traditional Name: N-(3,5-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide Formula: C22H17F2N3O3 MolecularWeight: 409.385486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC(=C4)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC(=C4)F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H17F2N3O3/c23-17-10-18(24)12-19(11-17)25-22(28)15-5-6-20(21(9-15)27(29)30)26-8-7-14-3-1-2-4-16(14)13-26/h1-6,9-12H,7-8,13H2,(H,25,28)