3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)indazole-6-carbaldehyde

Systemtic Name: 3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)indazole-6-carbaldehyde Openeye Name: 3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)indazole-6-carbaldehyde CAS Name: 3-[2-(2,2-dimethylpropylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-6-indazolecarboxaldehyde IUPAC Name: 3-[2-(2,2-dimethylpropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)indazole-6-carbaldehyde Traditional Name: 2-(4-fluorophenyl)-3-[2-(neopentylamino)pyrimidin-4-yl]indazole-6-carbaldehyde Formula: C23H22FN5O MolecularWeight: 403.452083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC=CC(=N1)C2=C3C=CC(=CC3=NN2C4=CC=C(C=C4)F)C=O

Isomeric SMILES

CC(C)(C)CNC1=NC=CC(=N1)C2=C3C=CC(=CC3=NN2C4=CC=C(C=C4)F)C=O

InChI

InChI=1S/C23H22FN5O/c1-23(2,3)14-26-22-25-11-10-19(27-22)21-18-9-4-15(13-30)12-20(18)28-29(21)17-7-5-16(24)6-8-17/h4-13H,14H2,1-3H3,(H,25,26,27)