7-bromanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 7-bromanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 7-bromo-N-[4-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 7-bromo-N-[4-(4-methyl-1-piperazinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 7-bromo-N-[4-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 7-bromo-N-[4-(4-methylpiperazino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3Br)OCCCO4

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3Br)OCCCO4

InChI

InChI=1S/C21H24BrN3O3/c1-24-7-9-25(10-8-24)16-5-3-15(4-6-16)23-21(26)17-13-19-20(14-18(17)22)28-12-2-11-27-19/h3-6,13-14H,2,7-12H2,1H3,(H,23,26)