(3E)-6-methoxy-3-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]chromen-4-one

Systemtic Name: (3E)-6-methoxy-3-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]chromen-4-one Openeye Name: (3E)-3-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-6-methoxy-chroman-4-one CAS Name: (3E)-6-methoxy-3-[[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylidene]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3E)-3-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-6-methoxychromen-4-one Traditional Name: (3E)-3-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-6-methoxy-chroman-4-one Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)C2=O

Isomeric SMILES

COC1=CC2=C(C=C1)OC/C(=C\C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5)/C2=O

InChI

InChI=1S/C26H21N3O3/c1-31-22-9-10-24-23(13-22)26(30)21(17-32-24)12-20-16-29(15-18-6-3-2-4-7-18)28-25(20)19-8-5-11-27-14-19/h2-14,16H,15,17H2,1H3/b21-12+