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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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