(E)-1-(azetidin-1-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(azetidin-1-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(azetidin-1-yl)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(1-azetidinyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(azetidin-1-yl)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(azetidin-1-yl)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-one Formula: C16H17N3O MolecularWeight: 267.32568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C1)C(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O/c20-16(18-9-4-10-18)8-7-15-11-17-19(13-15)12-14-5-2-1-3-6-14/h1-3,5-8,11,13H,4,9-10,12H2/b8-7+