2-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl]piperazin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbonyl]piperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxomethyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carbonyl)piperazino]-N-phenyl-acetamide Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)N3CCN(CC3)CC(=O)NC4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)N3CCN(CC3)CC(=O)NC4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C22H24ClN3O4/c23-18-13-16(14-19-21(18)30-12-4-11-29-19)22(28)26-9-7-25(8-10-26)15-20(27)24-17-5-2-1-3-6-17/h1-3,5-6,13-14H,4,7-12,15H2,(H,24,27)