1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one

Systemtic Name: 1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one Openeye Name: 1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]octan-1-one CAS Name: 1-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-octanone IUPAC Name: 1-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one Traditional Name: 1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]octan-1-one Formula: C29H42N6O MolecularWeight: 490.68338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C(C)CCC

Isomeric SMILES

CCCCCCCC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C(C)CCC

InChI

InChI=1S/C29H42N6O/c1-4-6-7-8-12-17-26(36)33-18-13-19-34(21-20-33)28-25-22-30-35(24-15-10-9-11-16-24)29(25)32-27(31-28)23(3)14-5-2/h9-11,15-16,22-23H,4-8,12-14,17-21H2,1-3H3