(E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-[3-(1H-benzimidazol-2-yl)-1-piperidyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-[3-(1H-benzimidazol-2-yl)piperidino]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H20N4O5/c27-21(8-7-14-10-19-20(31-13-30-19)11-18(14)26(28)29)25-9-3-4-15(12-25)22-23-16-5-1-2-6-17(16)24-22/h1-2,5-8,10-11,15H,3-4,9,12-13H2,(H,23,24)/b8-7+