N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyramide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCCC3=NC4=CC=CC=C4N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCCC3=NC4=CC=CC=C4N3)OC1

InChI

InChI=1S/C22H23N3O4/c26-18(15-6-8-19-20(14-15)29-13-3-12-28-19)7-9-22(27)23-11-10-21-24-16-4-1-2-5-17(16)25-21/h1-2,4-6,8,14H,3,7,9-13H2,(H,23,27)(H,24,25)