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

Systemtic Name: (E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-1-pyrrolidin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-pyrrolidin-1-yl-prop-2-en-1-one CAS Name: (E)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-1-(1-pyrrolidinyl)-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-pyrrolidin-1-ylprop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-pyrrolidino-prop-2-en-1-one Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O/c27-21(25-13-4-5-14-25)11-10-20-17-26(16-18-7-2-1-3-8-18)24-22(20)19-9-6-12-23-15-19/h1-3,6-12,15,17H,4-5,13-14,16H2/b11-10+