4-[4-(diphenylmethyl)-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzhydryl-1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1,4-diazepan-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzhydryl-1,4-diazepan-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzhydryl-1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C29H28N6 MolecularWeight: 460.57282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C29H28N6/c1-4-11-23(12-5-1)27(24-13-6-2-7-14-24)33-17-10-18-34(20-19-33)28-26-21-32-35(29(26)31-22-30-28)25-15-8-3-9-16-25/h1-9,11-16,21-22,27H,10,17-20H2