2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C22H25IN2O3 MolecularWeight: 492.34997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CN2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25IN2O3/c1-15-12-17(23)6-7-18(15)24-22(26)14-25-9-2-4-19(25)16-5-8-20-21(13-16)28-11-3-10-27-20/h5-8,12-13,19H,2-4,9-11,14H2,1H3,(H,24,26)/t19-/m0/s1