6-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[3-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[3-[4-(azepane-1-carbonyl)-1-piperidyl]-3-oxo-propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[3-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[3-[4-(azepane-1-carbonyl)piperidino]-3-keto-propyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H32N6O3 MolecularWeight: 476.57068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H32N6O3/c33-23(30-16-12-19(13-17-30)26(35)31-14-6-1-2-7-15-31)11-10-22-28-24-21(25(34)29-22)18-27-32(24)20-8-4-3-5-9-20/h3-5,8-9,18-19,27H,1-2,6-7,10-17H2