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

Systemtic Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CN2)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CN2)C3CCCCC3)C

InChI

InChI=1S/C20H24N4O3/c1-13-14(2)24(15-7-4-3-5-8-15)19(16(13)11-21)23-18(25)12-27-20(26)17-9-6-10-22-17/h6,9-10,15,22H,3-5,7-8,12H2,1-2H3,(H,23,25)