(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C26H22FN3O5 MolecularWeight: 475.468383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NN(C4=C3CCCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NN(C4=C3CCCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H22FN3O5/c1-15(31)28-18-8-11-20-16(12-24(32)35-23(20)13-18)14-34-26(33)25-21-4-2-3-5-22(21)30(29-25)19-9-6-17(27)7-10-19/h6-13H,2-5,14H2,1H3,(H,28,31)