6-chloranyl-N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3S/c1-21(2)15(12-4-7-25-11-12)10-20-18(22)13-8-14(19)17-16(9-13)23-5-3-6-24-17/h4,7-9,11,15H,3,5-6,10H2,1-2H3,(H,20,22)