(phenylmethyl) 3-(4-fluorophenyl)-2-propan-2-yl-7,8-dihydropyrazolo[3,4-d]azepine-6-carboxylate

Systemtic Name: (phenylmethyl) 3-(4-fluorophenyl)-2-propan-2-yl-7,8-dihydropyrazolo[3,4-d]azepine-6-carboxylate Openeye Name: benzyl 3-(4-fluorophenyl)-2-isopropyl-7,8-dihydropyrazolo[3,4-d]azepine-6-carboxylate CAS Name: 3-(4-fluorophenyl)-2-propan-2-yl-7,8-dihydropyrazolo[3,4-d]azepine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-fluorophenyl)-2-propan-2-yl-7,8-dihydropyrazolo[3,4-d]azepine-6-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-isopropyl-7,8-dihydropyrazol[3,4-d]azepine-6-carboxylic acid benzyl ester Formula: C24H24FN3O2 MolecularWeight: 405.464663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C2C=CN(CCC2=N1)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)N1C(=C2C=CN(CCC2=N1)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3O2/c1-17(2)28-23(19-8-10-20(25)11-9-19)21-12-14-27(15-13-22(21)26-28)24(29)30-16-18-6-4-3-5-7-18/h3-12,14,17H,13,15-16H2,1-2H3