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

Systemtic Name: 2-methyl-3-phenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5-propan-2-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-isopropyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2-methyl-3-phenyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-isopropyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C27H32N5+ MolecularWeight: 426.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5/c1-20(2)24-18-25(31-16-14-30(15-17-31)19-22-10-6-4-7-11-22)32-27(28-24)26(21(3)29-32)23-12-8-5-9-13-23/h4-13,18,20H,14-17,19H2,1-3H3/p+1