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

Systemtic Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-N-(4-pyrrolidinophenyl)acetamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CN3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CN3CCC[C@@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H31N3O3/c29-25(26-20-7-9-21(10-8-20)27-12-1-2-13-27)18-28-14-3-5-22(28)19-6-11-23-24(17-19)31-16-4-15-30-23/h6-11,17,22H,1-5,12-16,18H2,(H,26,29)/t22-/m1/s1