7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-5-propan-2-yl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-5-propan-2-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-5-isopropyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]-5-isopropyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C28H34N5+ MolecularWeight: 440.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=NC4=C(C=NN34)C5=CC=CC=C5)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=NC4=C(C=NN34)C5=CC=CC=C5)C(C)C)C

InChI

InChI=1S/C28H33N5/c1-20(2)26-17-27(33-28(30-26)25(18-29-33)23-8-6-5-7-9-23)32-14-12-31(13-15-32)19-24-11-10-21(3)16-22(24)4/h5-11,16-18,20H,12-15,19H2,1-4H3/p+1