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

Systemtic Name: 2-methyl-3,5-diphenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2-methyl-3,5-diphenyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine Formula: C30H30N5+ MolecularWeight: 460.5927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4)N5CC[NH+](CC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4)N5CC[NH+](CC5)CC6=CC=CC=C6

InChI

InChI=1S/C30H29N5/c1-23-29(26-15-9-4-10-16-26)30-31-27(25-13-7-3-8-14-25)21-28(35(30)32-23)34-19-17-33(18-20-34)22-24-11-5-2-6-12-24/h2-16,21H,17-20,22H2,1H3/p+1