5-tert-butyl-3-(4-chlorophenyl)-7-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-ethyl-1-piperazin-4-iumyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Formula: C22H29ClN5+ MolecularWeight: 398.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=NC3=C(C=NN23)C4=CC=C(C=C4)Cl)C(C)(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=NC3=C(C=NN23)C4=CC=C(C=C4)Cl)C(C)(C)C

InChI

InChI=1S/C22H28ClN5/c1-5-26-10-12-27(13-11-26)20-14-19(22(2,3)4)25-21-18(15-24-28(20)21)16-6-8-17(23)9-7-16/h6-9,14-15H,5,10-13H2,1-4H3/p+1