4-[2-methyl-3-(phenoxymethyl)-4-prop-2-enyl-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-methyl-3-(phenoxymethyl)-4-prop-2-enyl-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-allyl-2-methyl-3-(phenoxymethyl)-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-methyl-3-(phenoxymethyl)-4-prop-2-enyl-1H-pyrazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-methyl-3-(phenoxymethyl)-4-prop-2-enyl-1H-pyrazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-allyl-1-methyl-5-(phenoxymethyl)-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=C2C=CC(=O)C=C2)N1)CC=C)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=C2C=CC(=O)C=C2)N1)CC=C)COC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2/c1-3-7-18-19(14-24-17-8-5-4-6-9-17)22(2)21-20(18)15-10-12-16(23)13-11-15/h3-6,8-13,21H,1,7,14H2,2H3