[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N6O3/c1-17(2)25-22(15-30-33(25)23-12-8-9-13-29-23)27(35)36-16-24(34)31-26-21(14-28)18(3)19(4)32(26)20-10-6-5-7-11-20/h5-13,15,17H,16H2,1-4H3,(H,31,34)