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

Systemtic Name: cyclohexyl-[4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-cyclohexyl-methanone CAS Name: cyclohexyl-[4-[1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-(6-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-cyclohexylmethanone Traditional Name: [4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-cyclohexyl-methanone Formula: C29H32N6O MolecularWeight: 480.60398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C29H32N6O/c36-29(23-12-6-2-7-13-23)34-18-16-33(17-19-34)27-25-21-30-35(24-14-8-3-9-15-24)28(25)32-26(31-27)20-22-10-4-1-5-11-22/h1,3-5,8-11,14-15,21,23H,2,6-7,12-13,16-20H2