(3aR)-7-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]carbonyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one

Systemtic Name: (3aR)-7-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]carbonyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one Openeye Name: (3aR)-7-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one CAS Name: (3aR)-7-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-oxomethyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one IUPAC Name: (3aR)-7-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one Traditional Name: (3aR)-7-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C(=O)C3=CC4=C(C=C3)N5CCCC5C(=O)N4

Isomeric SMILES

C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)C3=CC4=C(C=C3)N5CCC[C@@H]5C(=O)N4

InChI

InChI=1S/C21H27N3O2/c25-20-19-6-3-10-24(19)18-8-7-15(12-17(18)22-20)21(26)23-11-9-14-4-1-2-5-16(14)13-23/h7-8,12,14,16,19H,1-6,9-11,13H2,(H,22,25)/t14-,16-,19-/m1/s1