[4-(6-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(6-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(6-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-(6-cyclohexyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(6-cyclohexyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(6-cyclohexyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-phenyl-methanone Formula: C28H30N6O MolecularWeight: 466.5774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CCN(CC5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H30N6O/c35-28(22-12-6-2-7-13-22)33-18-16-32(17-19-33)26-24-20-29-34(23-14-8-3-9-15-23)27(24)31-25(30-26)21-10-4-1-5-11-21/h2-3,6-9,12-15,20-21H,1,4-5,10-11,16-19H2