N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(4-chloro-2-methyl-phenoxy)acetyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(4-chloro-2-methylphenoxy)acetyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Traditional Name: 5-[2-(4-chloro-2-methyl-phenoxy)acetyl]-N-piperonyl-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide Formula: C30H26ClN3O5 MolecularWeight: 543.99754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)N2CC3=CC=C(N3CC4=CC=CC=C42)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H26ClN3O5/c1-19-12-22(31)7-11-26(19)37-17-29(35)34-16-23-8-9-25(33(23)15-21-4-2-3-5-24(21)34)30(36)32-14-20-6-10-27-28(13-20)39-18-38-27/h2-13H,14-18H2,1H3,(H,32,36)