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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N2C1C3=CC=CC=C3C=N2)(C#N)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@]1(CC(N2[C@H]1C3=CC=CC=C3C=N2)(C#N)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H20N4O2/c1-17(2,3)25-16(24)18(4)10-19(11-20,12-21)23-15(18)14-8-6-5-7-13(14)9-22-23/h5-9,15H,10H2,1-4H3/t15-,18-/m0/s1