1-(phenylmethyl)-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Openeye Name: 1-benzyl-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid CAS Name: 1-(phenylmethyl)-7-(5-pyrimidinylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid IUPAC Name: 1-benzyl-7-(pyrimidin-5-ylmethoxy)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid Traditional Name: 1-benzyl-7-(5-pyrimidylmethoxy)-4,5-dihydrobenz[g]indazole-3-carboxylic acid Formula: C24H20N4O3 MolecularWeight: 412.4406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=C(C=C3)OCC4=CN=CN=C4)N(N=C2C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C3=C1C=C(C=C3)OCC4=CN=CN=C4)N(N=C2C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C24H20N4O3/c29-24(30)22-21-8-6-18-10-19(31-14-17-11-25-15-26-12-17)7-9-20(18)23(21)28(27-22)13-16-4-2-1-3-5-16/h1-5,7,9-12,15H,6,8,13-14H2,(H,29,30)