5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-[4-(phenylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-[4-(phenylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-1-yl)-5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-[4-(phenylmethyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-1-yl)-5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazino)-5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine Formula: C28H32ClN5 MolecularWeight: 474.04018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H32ClN5/c1-20-26(22-10-12-23(29)13-11-22)27-30-24(28(2,3)4)18-25(34(27)31-20)33-16-14-32(15-17-33)19-21-8-6-5-7-9-21/h5-13,18H,14-17,19H2,1-4H3