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

Systemtic Name: 5-tert-butyl-3-phenyl-7-[4-(phenylmethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-1-yl)-5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-phenyl-7-[4-(phenylmethyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-1-yl)-5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazino)-5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C27H31N5 MolecularWeight: 425.56854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

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