[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O/c32-27(23-12-6-2-7-13-23)30-18-16-29(17-19-30)20-24-21-31(25-14-8-3-9-15-25)28-26(24)22-10-4-1-5-11-22/h1-15,21H,16-20H2/p+1