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

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-phenyl-1-piperazinyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-phenylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C26H28ClN5 MolecularWeight: 445.98702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN5/c1-26(2,3)23-17-24(31-15-13-30(14-16-31)21-7-5-4-6-8-21)32-25(29-23)22(18-28-32)19-9-11-20(27)12-10-19/h4-12,17-18H,13-16H2,1-3H3