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

Systemtic Name: N-(2-cyanophenyl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide CAS Name: N-(2-cyanophenyl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide Traditional Name: N-(2-cyanophenyl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]acetamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NC2=CC=CC=C2C#N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)CC(=O)NC2=CC=CC=C2C#N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H23N3O3/c23-14-17-5-1-2-6-18(17)24-22(26)15-25-10-3-7-19(25)16-8-9-20-21(13-16)28-12-4-11-27-20/h1-2,5-6,8-9,13,19H,3-4,7,10-12,15H2,(H,24,26)