[2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H20N4O3 MolecularWeight: 400.4299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H20N4O3/c1-16-14-20(17(2)27(16)22-6-3-4-11-24-22)21(28)15-30-23(29)18-7-9-19(10-8-18)26-13-5-12-25-26/h3-14H,15H2,1-2H3