5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(6-prop-2-enoxycyclohexa-2,4-dien-1-yl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(6-prop-2-enoxycyclohexa-2,4-dien-1-yl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[(6-allyloxycyclohexa-2,4-dien-1-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(6-prop-2-enoxy-1-cyclohexa-2,4-dienyl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(6-prop-2-enoxycyclohexa-2,4-dien-1-yl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(6-allyloxycyclohexa-2,4-dien-1-yl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2C=CC=CC2OCC=C)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2C=CC=CC2OCC=C)C3=C(NNC3=O)C

InChI

InChI=1S/C18H22N4O3/c1-4-9-25-13-8-6-5-7-12(13)16(14-10(2)19-21-17(14)23)15-11(3)20-22-18(15)24/h4-8,12-13,16H,1,9H2,2-3H3,(H2,19,21,23)(H2,20,22,24)