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

Systemtic Name: 7-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-5-propan-2-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-5-isopropyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-5-isopropyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C27H31ClN5O+ MolecularWeight: 477.02094

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H30ClN5O/c1-19(2)24-16-26(33-27(30-24)23(17-29-33)20-7-5-4-6-8-20)32-13-11-31(12-14-32)18-21-15-22(28)9-10-25(21)34-3/h4-10,15-17,19H,11-14,18H2,1-3H3/p+1