(E)-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-3-(3-pyridyl)prop-2-en-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CN=CC=C2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CN=CC=C2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4/c25-20(8-7-16-4-3-9-22-14-16)23-10-12-24(13-11-23)21(26)19-15-27-17-5-1-2-6-18(17)28-19/h1-9,14,19H,10-13,15H2/b8-7+