N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-thenoyl)isonipecotamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C20H22N2O4S/c23-19(21-15-4-5-16-17(13-15)26-11-2-10-25-16)14-6-8-22(9-7-14)20(24)18-3-1-12-27-18/h1,3-5,12-14H,2,6-11H2,(H,21,23)