2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(piperidine-1-carbonyl)piperazino]ethanone Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H28ClN3O4/c22-17-13-16(14-18-20(17)29-12-4-11-28-18)15-19(26)23-7-9-25(10-8-23)21(27)24-5-2-1-3-6-24/h13-14H,1-12,15H2