5-tert-butyl-3-phenyl-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-3-phenyl-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-phenyl-7-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-phenyl-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C29H34N5+ MolecularWeight: 452.61376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5/c1-29(2,3)26-21-27(34-28(31-26)25(22-30-34)24-14-8-5-9-15-24)33-19-17-32(18-20-33)16-10-13-23-11-6-4-7-12-23/h4-15,21-22H,16-20H2,1-3H3/p+1/b13-10+