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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyramide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCC3=NC4=CC=CC=C4N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCC3=NC4=CC=CC=C4N3)OC1

InChI

InChI=1S/C21H21N3O4/c25-17(14-6-8-18-19(12-14)28-11-3-10-27-18)7-9-21(26)22-13-20-23-15-4-1-2-5-16(15)24-20/h1-2,4-6,8,12H,3,7,9-11,13H2,(H,22,26)(H,23,24)