N-[(3S,6S,9aS)-3-(2,3-dihydro-1H-inden-2-yloxymethyl)-5-oxidanylidene-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-6-yl]-2-(methylamino)propanamide

Systemtic Name: N-[(3S,6S,9aS)-3-(2,3-dihydro-1H-inden-2-yloxymethyl)-5-oxidanylidene-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-6-yl]-2-(methylamino)propanamide Openeye Name: N-[(3S,6S,9aS)-3-(indan-2-yloxymethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-6-yl]-2-(methylamino)propanamide CAS Name: N-[(3S,6S,9aS)-3-(2,3-dihydro-1H-inden-2-yloxymethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-6-yl]-2-(methylamino)propanamide IUPAC Name: N-[(3S,6S,9aS)-3-(2,3-dihydro-1H-inden-2-yloxymethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-6-yl]-2-(methylamino)propanamide Traditional Name: N-[(3S,6S,9aS)-3-(indan-2-yloxymethyl)-5-keto-1,2,3,6,7,8,9,9a-octahydropyrrol[1,2-a]azepin-6-yl]-2-(methylamino)propionamide Formula: C23H33N3O3 MolecularWeight: 399.52642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC2CCC(N2C1=O)COC3CC4=CC=CC=C4C3)NC

Isomeric SMILES

CC(C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)COC3CC4=CC=CC=C4C3)NC

InChI

InChI=1S/C23H33N3O3/c1-15(24-2)22(27)25-21-9-5-8-18-10-11-19(26(18)23(21)28)14-29-20-12-16-6-3-4-7-17(16)13-20/h3-4,6-7,15,18-21,24H,5,8-14H2,1-2H3,(H,25,27)/t15?,18-,19-,21-/m0/s1