2-[4-(1,3-diethyl-3-oxidanidyl-2H-benzimidazol-3-ium-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-1-piperazin-1-yl-ethanone

Systemtic Name: 2-[4-(1,3-diethyl-3-oxidanidyl-2H-benzimidazol-3-ium-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-1-piperazin-1-yl-ethanone Openeye Name: 2-[4-(1,3-diethyl-3-oxido-2H-benzimidazol-3-ium-5-yl)-3-(m-tolyl)pyrazol-1-yl]-1-piperazin-1-yl-ethanone CAS Name: 2-[4-(1,3-diethyl-3-oxido-2H-benzimidazol-3-ium-5-yl)-3-(3-methylphenyl)-1-pyrazolyl]-1-(1-piperazinyl)ethanone IUPAC Name: 2-[4-(1,3-diethyl-3-oxido-2H-benzimidazol-3-ium-5-yl)-3-(3-methylphenyl)pyrazol-1-yl]-1-piperazin-1-ylethanone Traditional Name: 2-[4-(1,3-diethyl-3-oxido-2H-benzimidazol-3-ium-5-yl)-3-(m-tolyl)pyrazol-1-yl]-1-piperazino-ethanone Formula: C27H34N6O2 MolecularWeight: 474.59786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C[N+](C2=C1C=CC(=C2)C3=CN(N=C3C4=CC(=CC=C4)C)CC(=O)N5CCNCC5)(CC)[O-]

Isomeric SMILES

CCN1C[N+](C2=C1C=CC(=C2)C3=CN(N=C3C4=CC(=CC=C4)C)CC(=O)N5CCNCC5)(CC)[O-]

InChI

InChI=1S/C27H34N6O2/c1-4-30-19-33(35,5-2)25-16-21(9-10-24(25)30)23-17-32(18-26(34)31-13-11-28-12-14-31)29-27(23)22-8-6-7-20(3)15-22/h6-10,15-17,28H,4-5,11-14,18-19H2,1-3H3