1-(2H-1,5-benzodioxepin-7-yl)-5-[4-(2-butoxyphenyl)piperazin-1-yl]pentan-1-one

Systemtic Name: 1-(2H-1,5-benzodioxepin-7-yl)-5-[4-(2-butoxyphenyl)piperazin-1-yl]pentan-1-one Openeye Name: 1-(2H-1,5-benzodioxepin-7-yl)-5-[4-(2-butoxyphenyl)piperazin-1-yl]pentan-1-one CAS Name: 1-(2H-1,5-benzodioxepin-7-yl)-5-[4-(2-butoxyphenyl)-1-piperazinyl]-1-pentanone IUPAC Name: 1-(2H-1,5-benzodioxepin-7-yl)-5-[4-(2-butoxyphenyl)piperazin-1-yl]pentan-1-one Traditional Name: 1-(2H-1,5-benzodioxepin-7-yl)-5-[4-(2-butoxyphenyl)piperazino]pentan-1-one Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1N2CCN(CC2)CCCCC(=O)C3=CC4=C(C=C3)OCC=CO4

Isomeric SMILES

CCCCOC1=CC=CC=C1N2CCN(CC2)CCCCC(=O)C3=CC4=C(C=C3)OCC=CO4

InChI

InChI=1S/C28H36N2O4/c1-2-3-19-32-26-11-5-4-9-24(26)30-17-15-29(16-18-30)14-7-6-10-25(31)23-12-13-27-28(22-23)34-21-8-20-33-27/h4-5,8-9,11-13,21-22H,2-3,6-7,10,14-20H2,1H3