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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H28N2O5/c1-29-21-6-3-2-5-19(21)25-11-13-26(14-12-25)24(28)10-8-20(27)18-7-9-22-23(17-18)31-16-4-15-30-22/h2-3,5-7,9,17H,4,8,10-16H2,1H3