tert-butyl (2R,10bR)-3,3-dicyano-2-methyl-1,10b-dihydropyrrolo[2,1-a]phthalazine-2-carboxylate

Systemtic Name: tert-butyl (2R,10bR)-3,3-dicyano-2-methyl-1,10b-dihydropyrrolo[2,1-a]phthalazine-2-carboxylate Openeye Name: tert-butyl (2R,10bR)-3,3-dicyano-2-methyl-1,10b-dihydropyrrolo[2,1-a]phthalazine-2-carboxylate CAS Name: (2R,10bR)-3,3-dicyano-2-methyl-1,10b-dihydropyrrolo[2,1-a]phthalazine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,10bR)-3,3-dicyano-2-methyl-1,10b-dihydropyrrolo[2,1-a]phthalazine-2-carboxylate Traditional Name: (2R,10bR)-3,3-dicyano-2-methyl-1,10b-dihydropyrrolo[2,1-a]phthalazine-2-carboxylic acid tert-butyl ester Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C3=CC=CC=C3C=NN2C1(C#N)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@]1(C[C@@H]2C3=CC=CC=C3C=NN2C1(C#N)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H20N4O2/c1-17(2,3)25-16(24)18(4)9-15-14-8-6-5-7-13(14)10-22-23(15)19(18,11-20)12-21/h5-8,10,15H,9H2,1-4H3/t15-,18+/m1/s1