(6E)-3-methoxy-6-[5-(1-phenylpyrazol-4-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-3-methoxy-6-[5-(1-phenylpyrazol-4-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-methoxy-6-[5-(1-phenylpyrazol-4-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-3-methoxy-6-[5-(1-phenyl-4-pyrazolyl)-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-3-methoxy-6-[5-(1-phenylpyrazol-4-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-methoxy-6-[5-(1-phenylpyrazol-4-yl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H16N4O2 MolecularWeight: 344.36664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2C(=CN=CN2)C3=CN(N=C3)C4=CC=CC=C4)C=C1

Isomeric SMILES

COC1=CC(=O)/C(=C/2\C(=CN=CN2)C3=CN(N=C3)C4=CC=CC=C4)/C=C1

InChI

InChI=1S/C20H16N4O2/c1-26-16-7-8-17(19(25)9-16)20-18(11-21-13-22-20)14-10-23-24(12-14)15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)/b20-17+