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

Systemtic Name: [2-[[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic 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] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CN2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CN2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N4O3/c1-14-15(2)25(12-16-7-4-3-5-8-16)20(17(14)11-22)24-19(26)13-28-21(27)18-9-6-10-23-18/h3-10,23H,12-13H2,1-2H3,(H,24,26)