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

Systemtic Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C29H31N4O2+ MolecularWeight: 467.58204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2/c34-29(32-18-16-31(17-19-32)20-21-35-26-14-8-3-9-15-26)27-23-33(22-24-10-4-1-5-11-24)30-28(27)25-12-6-2-7-13-25/h1-15,23H,16-22H2/p+1