[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C27H26N4O5 MolecularWeight: 486.51914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O5/c1-19-7-12-24(36-19)26-23(17-31(29-26)22-5-3-2-4-6-22)27(33)35-18-25(32)28-20-8-10-21(11-9-20)30-13-15-34-16-14-30/h2-12,17H,13-16,18H2,1H3,(H,28,32)