1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-pyridyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-pyridinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-pyridyl)piperazino]butane-1,4-dione Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=N4)OC1

InChI

InChI=1S/C22H25N3O4/c26-18(17-5-7-19-20(16-17)29-15-3-14-28-19)6-8-22(27)25-12-10-24(11-13-25)21-4-1-2-9-23-21/h1-2,4-5,7,9,16H,3,6,8,10-15H2