N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=CC2=C(C=C1)OCCCO2)C3=CC=CC=C3Cl

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=CC2=C(C=C1)OCCCO2)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H27ClN2O3/c1-3-25(4-2)19(17-8-5-6-9-18(17)23)15-24-22(26)16-10-11-20-21(14-16)28-13-7-12-27-20/h5-6,8-11,14,19H,3-4,7,12-13,15H2,1-2H3,(H,24,26)