N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-thenoyl)nipecotamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H23ClN2O4S/c22-16-10-14(11-17-19(16)28-8-3-7-27-17)12-23-20(25)15-4-1-6-24(13-15)21(26)18-5-2-9-29-18/h2,5,9-11,15H,1,3-4,6-8,12-13H2,(H,23,25)