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

Systemtic Name: 6-chloranyl-N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[5-chloro-2-(4-methylpiperazino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H23Cl2N3O3 MolecularWeight: 436.33162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3O3/c1-25-5-7-26(8-6-25)18-4-3-15(22)13-17(18)24-21(27)14-11-16(23)20-19(12-14)28-9-2-10-29-20/h3-4,11-13H,2,5-10H2,1H3,(H,24,27)