(E)-1-cyclopentyl-3-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one

Systemtic Name: (E)-1-cyclopentyl-3-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one Openeye Name: (E)-1-cyclopentyl-3-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one CAS Name: (E)-1-cyclopentyl-3-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)-2-propen-1-one IUPAC Name: (E)-1-cyclopentyl-3-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one Traditional Name: (E)-1-cyclopentyl-3-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-one Formula: C18H16N3O2 MolecularWeight: 306.33854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(CN2C=NC=N2)C(=O)[C]3[CH][CH][CH][CH]3

Isomeric SMILES

COC1=CC=CC=C1/C=C(\CN2C=NC=N2)/C(=O)[C]3[CH][CH][CH][CH]3

InChI

InChI=1S/C18H16N3O2/c1-23-17-9-5-4-8-15(17)10-16(11-21-13-19-12-20-21)18(22)14-6-2-3-7-14/h2-10,12-13H,11H2,1H3/b16-10+