(3R)-N-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H21F3N4O5 MolecularWeight: 466.41045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)[C@H]1CC2=CC=CC=C2CN1C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N4O5/c1-20(2,3)25-19(29)17-8-12-6-4-5-7-13(12)11-26(17)18-15(27(30)31)9-14(21(22,23)24)10-16(18)28(32)33/h4-7,9-10,17H,8,11H2,1-3H3,(H,25,29)/t17-/m1/s1