(4Z)-2-(4-iodophenyl)-5-methyl-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-3-one

Systemtic Name: (4Z)-2-(4-iodophenyl)-5-methyl-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-3-one Openeye Name: (4Z)-2-(4-iodophenyl)-5-methyl-4-[(3-prop-2-ynoxyphenyl)methylene]pyrazol-3-one CAS Name: (4Z)-2-(4-iodophenyl)-5-methyl-4-[(3-prop-2-ynoxyphenyl)methylidene]-3-pyrazolone IUPAC Name: (4Z)-2-(4-iodophenyl)-5-methyl-4-[(3-prop-2-ynoxyphenyl)methylidene]pyrazol-3-one Traditional Name: (4Z)-2-(4-iodophenyl)-5-methyl-4-(3-propargyloxybenzylidene)-2-pyrazolin-3-one Formula: C20H15IN2O2 MolecularWeight: 442.24977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OCC#C)C3=CC=C(C=C3)I

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=CC=C2)OCC#C)C3=CC=C(C=C3)I

InChI

InChI=1S/C20H15IN2O2/c1-3-11-25-18-6-4-5-15(12-18)13-19-14(2)22-23(20(19)24)17-9-7-16(21)8-10-17/h1,4-10,12-13H,11H2,2H3/b19-13-