[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methanone Openeye Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methanone Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c33-27(31-16-14-30(15-17-31)18-19-34-24-11-5-2-6-12-24)25-21-32(23-9-3-1-4-10-23)29-26(25)22-8-7-13-28-20-22/h1-13,20-21H,14-19H2/p+1