3-(benzimidazol-1-yl)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-(benzimidazol-1-yl)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]propan-1-one Openeye Name: 3-(benzimidazol-1-yl)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-(1-benzimidazolyl)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-(benzimidazol-1-yl)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]propan-1-one Traditional Name: 3-(benzimidazol-1-yl)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]propan-1-one Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCN2C=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCN2C=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H25N3O3/c27-23(10-12-25-16-24-18-5-1-2-6-20(18)25)26-11-3-7-19(26)17-8-9-21-22(15-17)29-14-4-13-28-21/h1-2,5-6,8-9,15-16,19H,3-4,7,10-14H2/t19-/m0/s1