methyl 3-cyano-2-ethanoyl-4-phenyl-1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate

Systemtic Name: methyl 3-cyano-2-ethanoyl-4-phenyl-1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate Openeye Name: methyl 2-acetyl-1-benzyl-3-cyano-4-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate CAS Name: 2-acetyl-3-cyano-4-phenyl-1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-acetyl-1-benzyl-3-cyano-4-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate Traditional Name: 2-acetyl-1-benzyl-3-cyano-4-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C2=C(C(=CN=C2N1CC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(=O)C1C(C2=C(C(=CN=C2N1CC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H21N3O3/c1-16(29)23-19(13-26)22-21(18-11-7-4-8-12-18)20(25(30)31-2)14-27-24(22)28(23)15-17-9-5-3-6-10-17/h3-12,14,19,23H,15H2,1-2H3