(E)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propen-1-one IUPAC Name: (E)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(cyclopropanecarbonyl)piperazino]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c23-19(21-8-10-22(11-9-21)20(24)16-4-5-16)7-3-15-2-6-17-18(14-15)26-13-1-12-25-17/h2-3,6-7,14,16H,1,4-5,8-13H2/b7-3+