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

Systemtic Name: 1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 1-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylethanone Traditional Name: 1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenyl-ethanone Formula: C29H34N6O MolecularWeight: 482.61986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H34N6O/c1-3-11-22(2)27-31-28(25-21-30-35(29(25)32-27)24-14-8-5-9-15-24)34-17-10-16-33(18-19-34)26(36)20-23-12-6-4-7-13-23/h4-9,12-15,21-22H,3,10-11,16-20H2,1-2H3