7-bromanyl-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 7-bromanyl-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 7-bromo-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 7-bromo-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 7-bromo-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 7-bromo-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)C3=CC4=C(C=C3Br)OCCCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)C3=CC4=C(C=C3Br)OCCCO4

InChI

InChI=1S/C21H21BrN2O4/c1-26-14-3-4-15-13(12-24-18(15)9-14)5-6-23-21(25)16-10-19-20(11-17(16)22)28-8-2-7-27-19/h3-4,9-12,24H,2,5-8H2,1H3,(H,23,25)