ethyl 4-[3-cyano-1-(2,4-dimethylphenyl)pyrrol-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-cyano-1-(2,4-dimethylphenyl)pyrrol-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-cyano-1-(2,4-dimethylphenyl)-2-pyrrolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CN2C3=C(C=C(C=C3)C)C)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CN2C3=C(C=C(C=C3)C)C)C#N

InChI

InChI=1S/C21H24N4O3/c1-4-28-21(27)24-11-9-23(10-12-24)20(26)19-17(14-22)7-8-25(19)18-6-5-15(2)13-16(18)3/h5-8,13H,4,9-12H2,1-3H3