1-(1-adamantylcarbonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(1-adamantylcarbonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(adamantane-1-carbonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-2-carboxamide CAS Name: 1-[1-adamantyl(oxo)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(adamantane-1-carbonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(adamantane-1-carbonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-2-carboxamide Formula: C25H32N2O4 MolecularWeight: 424.53258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC6=C(C=C5)OCCCO6

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC6=C(C=C5)OCCCO6

InChI

InChI=1S/C25H32N2O4/c28-23(26-19-4-5-21-22(12-19)31-8-2-7-30-21)20-3-1-6-27(20)24(29)25-13-16-9-17(14-25)11-18(10-16)15-25/h4-5,12,16-18,20H,1-3,6-11,13-15H2,(H,26,28)