2-[4-(2-methyl-3-phenyl-5-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(2-methyl-3-phenyl-5-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(5-isopropyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(2-methyl-3-phenyl-5-propan-2-yl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(5-isopropyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Formula: C22H27N6+ MolecularWeight: 375.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)N4CC[NH+](CC4)CC#N

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)N4CC[NH+](CC4)CC#N

InChI

InChI=1S/C22H26N6/c1-16(2)19-15-20(27-13-11-26(10-9-23)12-14-27)28-22(24-19)21(17(3)25-28)18-7-5-4-6-8-18/h4-8,15-16H,10-14H2,1-3H3/p+1