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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-prop-2-enylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(4-allylpiperazin-1-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-prop-2-enyl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-prop-2-enylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(4-allylpiperazino)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butane-1,4-dione Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN(CC1)C(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C=CCN1CCN(CC1)C(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H26N2O4/c1-2-8-21-9-11-22(12-10-21)20(24)7-5-17(23)16-4-6-18-19(15-16)26-14-3-13-25-18/h2,4,6,15H,1,3,5,7-14H2