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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-isonicotinoylpiperazino)butane-1,4-dione Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c27-19(18-2-4-20-21(16-18)31-15-1-14-30-20)3-5-22(28)25-10-12-26(13-11-25)23(29)17-6-8-24-9-7-17/h2,4,6-9,16H,1,3,5,10-15H2