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

Systemtic Name: 2-[4-(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-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(3-phenyl-5-propan-2-yl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(5-isopropyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]acetonitrile Formula: C21H25N6+ MolecularWeight: 361.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC#N)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6/c1-16(2)19-14-20(26-12-10-25(9-8-22)11-13-26)27-21(24-19)18(15-23-27)17-6-4-3-5-7-17/h3-7,14-16H,9-13H2,1-2H3/p+1