N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]butanamide

Systemtic Name: N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]butanamide Openeye Name: N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]benzimidazol-2-yl]methyl]butanamide CAS Name: N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-benzimidazolyl]methyl]butanamide IUPAC Name: N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide Traditional Name: N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]benzimidazol-2-yl]methyl]butyramide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC(=O)NCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O4/c1-2-5-20(26)22-11-19-24-15-6-3-4-7-16(15)25(19)12-21(27)23-14-8-9-17-18(10-14)29-13-28-17/h3-4,6-10H,2,5,11-13H2,1H3,(H,22,26)(H,23,27)