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

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]acetamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)CC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H22ClN3O3/c23-17-6-4-16(13-24)18(12-17)25-22(27)14-26-8-1-3-19(26)15-5-7-20-21(11-15)29-10-2-9-28-20/h4-7,11-12,19H,1-3,8-10,14H2,(H,25,27)