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

Systemtic Name: 1-(4-cyclopropylcarbonylpiperazin-1-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Openeye Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione IUPAC Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Traditional Name: 1-[4-(cyclopropanecarbonyl)piperazino]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)C(=O)C4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)C(=O)C4CC4)OC1

InChI

InChI=1S/C21H26N2O5/c24-17(16-4-6-18-19(14-16)28-13-1-12-27-18)5-7-20(25)22-8-10-23(11-9-22)21(26)15-2-3-15/h4,6,14-15H,1-3,5,7-13H2