[2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-morpholinopyridine-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridinecarboxylic acid [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 2-morpholinonicotinic acid [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(N=CC=C2)N3CCOCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(N=CC=C2)N3CCOCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H27N5O4/c1-18-19(2)31(16-20-7-4-3-5-8-20)25(22(18)15-27)29-23(32)17-35-26(33)21-9-6-10-28-24(21)30-11-13-34-14-12-30/h3-10H,11-14,16-17H2,1-2H3,(H,29,32)