6-chloranyl-N-[[4-(dimethylaminomethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[[4-(dimethylaminomethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[[4-(dimethylaminomethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[[4-(dimethylaminomethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[[4-(dimethylaminomethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[4-(dimethylaminomethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C20H23ClN2O3 MolecularWeight: 374.86122

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H23ClN2O3/c1-23(2)13-15-6-4-14(5-7-15)12-22-20(24)16-10-17(21)19-18(11-16)25-8-3-9-26-19/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,22,24)