N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-1-ethyl-2-methyl-benzimidazole-5-carboxamide

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-1-ethyl-2-methyl-benzimidazole-5-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-1-ethyl-2-methyl-benzimidazole-5-carboxamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-1-ethyl-2-methyl-5-benzimidazolecarboxamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-1-ethyl-2-methyl-benzimidazole-5-carboxamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2)C(=O)NN=C(C)CCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2)C(=O)N/N=C(\C)/CCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H24N4O3/c1-4-26-15(3)23-18-12-17(8-9-19(18)26)22(27)25-24-14(2)5-6-16-7-10-20-21(11-16)29-13-28-20/h7-12H,4-6,13H2,1-3H3,(H,25,27)/b24-14+