1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-methoxyphenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-methoxyphenyl)piperazino]butane-1,4-dione Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H28N2O5/c1-29-20-6-4-19(5-7-20)25-11-13-26(14-12-25)24(28)10-8-21(27)18-3-9-22-23(17-18)31-16-2-15-30-22/h3-7,9,17H,2,8,10-16H2,1H3