8-bromanyl-6-nitro-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-amine

Systemtic Name: 8-bromanyl-6-nitro-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-amine Openeye Name: 8-bromo-6-nitro-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-amine CAS Name: 8-bromo-6-nitro-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-amine IUPAC Name: 8-bromo-6-nitro-2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-5-amine Traditional Name: [8-bromo-6-nitro-2-[3-(trifluoromethyl)benzyl]-3,4-dihydro-1H-isoquinolin-5-yl]amine Formula: C17H15BrF3N3O2 MolecularWeight: 430.21911

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(C=C(C(=C21)N)[N+](=O)[O-])Br)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC2=C(C=C(C(=C21)N)[N+](=O)[O-])Br)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H15BrF3N3O2/c18-14-7-15(24(25)26)16(22)12-4-5-23(9-13(12)14)8-10-2-1-3-11(6-10)17(19,20)21/h1-3,6-7H,4-5,8-9,22H2