(E)-3-(1,3-benzodioxol-5-yl)-1-cyclopentyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-cyclopentyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-cyclopentyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-cyclopentyl-2-(1,2,4-triazol-1-ylmethyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-cyclopentyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-cyclopentyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one Formula: C18H14N3O3 MolecularWeight: 320.32206

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(CN3C=NC=N3)C(=O)[C]4[CH][CH][CH][CH]4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\CN3C=NC=N3)/C(=O)[C]4[CH][CH][CH][CH]4

InChI

InChI=1S/C18H14N3O3/c22-18(14-3-1-2-4-14)15(9-21-11-19-10-20-21)7-13-5-6-16-17(8-13)24-12-23-16/h1-8,10-11H,9,12H2/b15-7+