ethyl 3-azanyl-5-cyano-6-ethoxy-1-methyl-4-phenyl-pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 3-azanyl-5-cyano-6-ethoxy-1-methyl-4-phenyl-pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 3-amino-5-cyano-6-ethoxy-1-methyl-4-phenyl-pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-5-cyano-6-ethoxy-1-methyl-4-phenyl-2-pyrrolo[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-cyano-6-ethoxy-1-methyl-4-phenylpyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-5-cyano-6-ethoxy-1-methyl-4-phenyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C(=C1C#N)C3=CC=CC=C3)C(=C(N2C)C(=O)OCC)N

Isomeric SMILES

CCOC1=NC2=C(C(=C1C#N)C3=CC=CC=C3)C(=C(N2C)C(=O)OCC)N

InChI

InChI=1S/C20H20N4O3/c1-4-26-19-13(11-21)14(12-9-7-6-8-10-12)15-16(22)17(20(25)27-5-2)24(3)18(15)23-19/h6-10H,4-5,22H2,1-3H3