6-(azepan-1-yl)-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-(azepan-1-yl)-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-(azepan-1-yl)-4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 6-(1-azepanyl)-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 6-(azepan-1-yl)-4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-(azepan-1-yl)-4-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C34H38N7+ MolecularWeight: 544.71242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CC[NH+](CC5)C(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CCCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)N5CC[NH+](CC5)C(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C34H37N7/c1-2-13-21-40(20-12-1)34-36-32(30-26-35-41(33(30)37-34)29-18-10-5-11-19-29)39-24-22-38(23-25-39)31(27-14-6-3-7-15-27)28-16-8-4-9-17-28/h3-11,14-19,26,31H,1-2,12-13,20-25H2/p+1