2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(3,5-diphenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Formula: C24H23N6+ MolecularWeight: 395.47962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#N)C2=CC(=NC3=C(C=NN23)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC#N)C2=CC(=NC3=C(C=NN23)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N6/c25-11-12-28-13-15-29(16-14-28)23-17-22(20-9-5-2-6-10-20)27-24-21(18-26-30(23)24)19-7-3-1-4-8-19/h1-10,17-18H,12-16H2/p+1