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

Systemtic Name: 1,3-diethyl-3-(3-methylphenyl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Openeye Name: 1,3-diethyl-1-(2-morpholino-2-oxo-ethyl)-3-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one CAS Name: 1,3-diethyl-3-(3-methylphenyl)-1-[2-(4-morpholinyl)-2-oxoethyl]-4-(1H-pyrazol-4-yl)-2-benzimidazole-1,3-diiumone IUPAC Name: 1,3-diethyl-3-(3-methylphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Traditional Name: 1,3-diethyl-1-(2-keto-2-morpholino-ethyl)-3-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazole-1,3-diium-2-one Formula: C27H33N5O3+2 MolecularWeight: 475.58262

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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)N5CCOCC5

Isomeric SMILES

CC[N+]1(C2=CC=CC(=C2[N+](C1=O)(CC)C3=CC=CC(=C3)C)C4=CNN=C4)CC(=O)N5CCOCC5

InChI

InChI=1S/C27H33N5O3/c1-4-31(19-25(33)30-12-14-35-15-13-30)24-11-7-10-23(21-17-28-29-18-21)26(24)32(5-2,27(31)34)22-9-6-8-20(3)16-22/h6-11,16-18H,4-5,12-15,19H2,1-3H3,(H,28,29)/q+2