4-[(5-methoxy-2-prop-2-ynoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(5-methoxy-2-prop-2-ynoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(5-methoxy-2-prop-2-ynoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(5-methoxy-2-prop-2-ynoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(5-methoxy-2-prop-2-ynoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(5-methoxy-2-propargyloxy-phenyl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=C(C=CC(=C2)OC)OCC#C)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=C(C=CC(=C2)OC)OCC#C)C3=C(NNC3=O)C

InChI

InChI=1S/C19H20N4O4/c1-5-8-27-14-7-6-12(26-4)9-13(14)17(15-10(2)20-22-18(15)24)16-11(3)21-23-19(16)25/h1,6-7,9,17H,8H2,2-4H3,(H2,20,22,24)(H2,21,23,25)