3-(4-methoxyphenyl)-N-[5-methyl-2-[1-[(3-nitrophenyl)methyl]benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]prop-2-enamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-[(3-nitrophenyl)methyl]benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]prop-2-enamide Openeye Name: 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-[(3-nitrophenyl)methyl]benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]prop-2-enamide CAS Name: 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-[(3-nitrophenyl)methyl]-2-benzimidazolyl]-1H-pyrazol-2-ium-3-yl]-2-propenamide IUPAC Name: 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-[(3-nitrophenyl)methyl]benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]prop-2-enamide Traditional Name: 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-nitrobenzyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]acrylamide Formula: C28H25N6O4+ MolecularWeight: 509.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)[N+](=O)[O-])NC(=O)C=CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)[N+](=O)[O-])NC(=O)C=CC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H24N6O4/c1-19-16-26(30-27(35)15-12-20-10-13-23(38-2)14-11-20)33(31-19)28-29-24-8-3-4-9-25(24)32(28)18-21-6-5-7-22(17-21)34(36)37/h3-17H,18H2,1-2H3,(H,30,31,35)/p+1