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

Systemtic Name: 6-chloranyl-N-[3-(diethylaminomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[3-(diethylaminomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[3-(diethylaminomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[3-(diethylaminomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[3-(diethylaminomethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCN(CC)CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H25ClN2O3/c1-3-24(4-2)14-15-7-5-8-17(11-15)23-21(25)16-12-18(22)20-19(13-16)26-9-6-10-27-20/h5,7-8,11-13H,3-4,6,9-10,14H2,1-2H3,(H,23,25)