N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC2=C(C=C1)OCCCO2)C3=CSC=C3

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC2=C(C=C1)OCCCO2)C3=CSC=C3

InChI

InChI=1S/C18H22N2O3S/c1-20(2)15(14-6-9-24-12-14)11-19-18(21)13-4-5-16-17(10-13)23-8-3-7-22-16/h4-6,9-10,12,15H,3,7-8,11H2,1-2H3,(H,19,21)