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

Systemtic Name: 5-tert-butyl-7-[4-(3-chlorophenyl)piperazin-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-[4-(3-chlorophenyl)piperazin-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-7-[4-(3-chlorophenyl)-1-piperazinyl]-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-7-[4-(3-chlorophenyl)piperazin-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-[4-(3-chlorophenyl)piperazino]-3-phenyl-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)Cl)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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