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

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

CC(C1=NC2=CC=CC=C2N1)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H23N3O4/c1-14(22-24-16-5-2-3-6-17(16)25-22)23-21(27)10-8-18(26)15-7-9-19-20(13-15)29-12-4-11-28-19/h2-3,5-7,9,13-14H,4,8,10-12H2,1H3,(H,23,27)(H,24,25)/t14-/m0/s1