5-tert-butyl-7-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-7-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-7-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-7-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C28H33ClN5O+ MolecularWeight: 491.04752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC4=C(C=CC(=C4)Cl)OC)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC4=C(C=CC(=C4)Cl)OC)C5=CC=CC=C5

InChI

InChI=1S/C28H32ClN5O/c1-28(2,3)25-17-26(34-27(31-25)23(18-30-34)20-8-6-5-7-9-20)33-14-12-32(13-15-33)19-21-16-22(29)10-11-24(21)35-4/h5-11,16-18H,12-15,19H2,1-4H3/p+1