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

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[4-(2-thenoyl)piperazino]prop-2-en-1-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c24-20(7-5-16-4-6-17-18(15-16)27-13-2-12-26-17)22-8-10-23(11-9-22)21(25)19-3-1-14-28-19/h1,3-7,14-15H,2,8-13H2/b7-5+