N-[(6aS)-2-(1,3-benzodioxol-5-yl)-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-(2-methoxyphenyl)ethanamide

Systemtic Name: N-[(6aS)-2-(1,3-benzodioxol-5-yl)-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-(2-methoxyphenyl)ethanamide Openeye Name: N-[(6aS)-2-(1,3-benzodioxol-5-yl)-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-(2-methoxyphenyl)acetamide CAS Name: N-[(6aS)-2-(1,3-benzodioxol-5-yl)-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-(2-methoxyphenyl)acetamide IUPAC Name: N-[(6aS)-2-(1,3-benzodioxol-5-yl)-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-(2-methoxyphenyl)acetamide Traditional Name: N-[(6aS)-2-(1,3-benzodioxol-5-yl)-11-keto-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-(2-methoxyphenyl)acetamide Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC(=O)NC2CC3CNC4=C(C=C(C=C4)C5=CC6=C(C=C5)OCO6)C(=O)N3C2

Isomeric SMILES

COC1=CC=CC=C1CC(=O)NC2C[C@H]3CNC4=C(C=C(C=C4)C5=CC6=C(C=C5)OCO6)C(=O)N3C2

InChI

InChI=1S/C28H27N3O5/c1-34-24-5-3-2-4-19(24)12-27(32)30-20-13-21-14-29-23-8-6-17(10-22(23)28(33)31(21)15-20)18-7-9-25-26(11-18)36-16-35-25/h2-11,20-21,29H,12-16H2,1H3,(H,30,32)/t20?,21-/m0/s1