tert-butyl 4-(6-azanyl-7-cyano-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)benzoate

Systemtic Name: tert-butyl 4-(6-azanyl-7-cyano-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)benzoate Openeye Name: tert-butyl 4-(6-amino-7-cyano-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)benzoate CAS Name: 4-(6-amino-7-cyano-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-amino-7-cyano-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)benzoate Traditional Name: 4-(6-amino-7-cyano-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)benzoic acid tert-butyl ester Formula: C19H20N4O2 MolecularWeight: 336.3877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2CC3=CN=C(C(=C3C2)C#N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2CC3=CN=C(C(=C3C2)C#N)N

InChI

InChI=1S/C19H20N4O2/c1-19(2,3)25-18(24)12-4-6-14(7-5-12)23-10-13-9-22-17(21)15(8-20)16(13)11-23/h4-7,9H,10-11H2,1-3H3,(H2,21,22)