4-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-m-anisyl-1,4-diazepan-1-yl)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C27H32N6O MolecularWeight: 456.58258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC(=CC=C5)OC

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C27H32N6O/c1-3-9-25-29-26(24-19-28-33(27(24)30-25)22-11-5-4-6-12-22)32-15-8-14-31(16-17-32)20-21-10-7-13-23(18-21)34-2/h4-7,10-13,18-19H,3,8-9,14-17,20H2,1-2H3