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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-hydroxyphenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(4-hydroxyphenyl)piperazino]butane-1,4-dione Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)O)OC1

InChI

InChI=1S/C23H26N2O5/c26-19-5-3-18(4-6-19)24-10-12-25(13-11-24)23(28)9-7-20(27)17-2-8-21-22(16-17)30-15-1-14-29-21/h2-6,8,16,26H,1,7,9-15H2