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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[4-(2-thenoyl)piperazino]butane-1,4-dione Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4)OC1

InChI

InChI=1S/C22H24N2O5S/c25-17(16-4-6-18-19(15-16)29-13-2-12-28-18)5-7-21(26)23-8-10-24(11-9-23)22(27)20-3-1-14-30-20/h1,3-4,6,14-15H,2,5,7-13H2