(6E)-3-(diethylamino)-6-[4-(2-iodanylphenyl)-2-phenyl-1H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-3-(diethylamino)-6-[4-(2-iodanylphenyl)-2-phenyl-1H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-(diethylamino)-6-[4-(2-iodophenyl)-2-phenyl-1H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-3-(diethylamino)-6-[4-(2-iodophenyl)-2-phenyl-1H-pyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-3-(diethylamino)-6-[4-(2-iodophenyl)-2-phenyl-1H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-3-(diethylamino)-6-[4-(2-iodophenyl)-2-phenyl-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C25H24IN3O MolecularWeight: 509.38203

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=C2C(=CNN2C3=CC=CC=C3)C4=CC=CC=C4I)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)/C(=C/2\C(=CNN2C3=CC=CC=C3)C4=CC=CC=C4I)/C=C1

InChI

InChI=1S/C25H24IN3O/c1-3-28(4-2)19-14-15-21(24(30)16-19)25-22(20-12-8-9-13-23(20)26)17-27-29(25)18-10-6-5-7-11-18/h5-17,27H,3-4H2,1-2H3/b25-21+