1,3-diethyl-3-(3-methylphenyl)-1-(2-oxidanylidene-2-piperazin-1-yl-ethyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one

Systemtic Name: 1,3-diethyl-3-(3-methylphenyl)-1-(2-oxidanylidene-2-piperazin-1-yl-ethyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Openeye Name: 1,3-diethyl-3-(m-tolyl)-1-(2-oxo-2-piperazin-1-yl-ethyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one CAS Name: 1,3-diethyl-3-(3-methylphenyl)-1-[2-oxo-2-(1-piperazinyl)ethyl]-4-(1H-pyrazol-4-yl)-2-benzimidazole-1,3-diiumone IUPAC Name: 1,3-diethyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Traditional Name: 1,3-diethyl-1-(2-keto-2-piperazino-ethyl)-3-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Formula: C27H34N6O2+2 MolecularWeight: 474.59786

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=CC=CC(=C2[N+](C1=O)(CC)C3=CC=CC(=C3)C)C4=CNN=C4)CC(=O)N5CCNCC5

Isomeric SMILES

CC[N+]1(C2=CC=CC(=C2[N+](C1=O)(CC)C3=CC=CC(=C3)C)C4=CNN=C4)CC(=O)N5CCNCC5

InChI

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