(2R,3R,10bS)-3-(1-adamantylcarbonyl)-2-(4-chloranyl-3-nitro-phenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile

Systemtic Name: (2R,3R,10bS)-3-(1-adamantylcarbonyl)-2-(4-chloranyl-3-nitro-phenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Openeye Name: (2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-(4-chloro-3-nitro-phenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile CAS Name: (2R,3R,10bS)-3-[1-adamantyl(oxo)methyl]-2-(4-chloro-3-nitrophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile IUPAC Name: (2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-(4-chloro-3-nitrophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Traditional Name: (2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-(4-chloro-3-nitro-phenyl)-3,10b-dihydro-2H-pyrrol[2,1-a]isoquinoline-1,1-dicarbonitrile Formula: C31H27ClN4O3 MolecularWeight: 539.02408

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC(=C(C=C7)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@@H](C([C@H]5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC(=C(C=C7)Cl)[N+](=O)[O-]

InChI

InChI=1S/C31H27ClN4O3/c32-24-6-5-22(12-25(24)36(38)39)26-27(29(37)30-13-18-9-19(14-30)11-20(10-18)15-30)35-8-7-21-3-1-2-4-23(21)28(35)31(26,16-33)17-34/h1-8,12,18-20,26-28H,9-11,13-15H2/t18?,19?,20?,26-,27+,28-,30?/m0/s1