methyl 4-[[3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-(2-benzofuranyl)-1-(2-cyanoethyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C23H18N4O4 MolecularWeight: 414.41342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=CC=CC=C4O3)CCC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=CC=CC=C4O3)CCC#N

InChI

InChI=1S/C23H18N4O4/c1-30-23(29)15-7-9-17(10-8-15)25-22(28)18-14-27(12-4-11-24)26-21(18)20-13-16-5-2-3-6-19(16)31-20/h2-3,5-10,13-14H,4,12H2,1H3,(H,25,28)