1-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone CAS Name: 1-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone IUPAC Name: 1-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-18(28)27-13-5-12-26(14-15-27)17-22-16-24-25-23(22)21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11,16H,5,12-15,17H2,1H3,(H,24,25)/p+1