(9R)-9-butoxy-2-methoxy-3-oxidanyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Systemtic Name: (9R)-9-butoxy-2-methoxy-3-oxidanyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: (9R)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: (9R)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: (9R)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: (9R)-9-butoxy-3-hydroxy-2-methoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CCC2N1C(=O)C3=CC(=C(C=C3NC2)O)OC

Isomeric SMILES

CCCCO[C@@H]1CCC2N1C(=O)C3=CC(=C(C=C3NC2)O)OC

InChI

InChI=1S/C17H24N2O4/c1-3-4-7-23-16-6-5-11-10-18-13-9-14(20)15(22-2)8-12(13)17(21)19(11)16/h8-9,11,16,18,20H,3-7,10H2,1-2H3/t11?,16-/m1/s1