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

Systemtic Name: 1-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone Formula: C30H36N6O2 MolecularWeight: 512.64584

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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)COCC5=CC=CC=C5

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)COCC5=CC=CC=C5

InChI

InChI=1S/C30H36N6O2/c1-3-11-23(2)28-32-29(26-20-31-36(30(26)33-28)25-14-8-5-9-15-25)35-17-10-16-34(18-19-35)27(37)22-38-21-24-12-6-4-7-13-24/h4-9,12-15,20,23H,3,10-11,16-19,21-22H2,1-2H3