1-[4-[3-methyl-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[3-methyl-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-(6-benzyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]octan-1-one CAS Name: 1-[4-[3-methyl-1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-(6-benzyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]octan-1-one Traditional Name: 1-[4-(6-benzyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]octan-1-one Formula: C31H38N6O MolecularWeight: 510.67302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)CC5=CC=CC=C5

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)CC5=CC=CC=C5

InChI

InChI=1S/C31H38N6O/c1-3-4-5-6-13-18-28(38)35-19-21-36(22-20-35)30-29-24(2)34-37(26-16-11-8-12-17-26)31(29)33-27(32-30)23-25-14-9-7-10-15-25/h7-12,14-17H,3-6,13,18-23H2,1-2H3