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

Systemtic Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-(6-butyl-3-methyl-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:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)COCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)COCC5=CC=CC=C5

InChI

InChI=1S/C30H36N6O2/c1-3-4-16-26-31-29(28-23(2)33-36(30(28)32-26)25-14-9-6-10-15-25)35-18-11-17-34(19-20-35)27(37)22-38-21-24-12-7-5-8-13-24/h5-10,12-15H,3-4,11,16-22H2,1-2H3