(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-cyclopropylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-cyclopropylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(cyclopropanecarbonyl)piperazino]prop-2-en-1-one Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4/c21-16-12-14(13-17-19(16)27-11-1-10-26-17)2-5-18(24)22-6-8-23(9-7-22)20(25)15-3-4-15/h2,5,12-13,15H,1,3-4,6-11H2/b5-2+