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

Systemtic Name: 5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(2-prop-2-ynoxynaphthalen-1-yl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-prop-2-ynoxy-1-naphthyl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-prop-2-ynoxy-1-naphthalenyl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(2-prop-2-ynoxynaphthalen-1-yl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(2-propargyloxy-1-naphthyl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=C(NNC2=O)C)C3=C(C=CC4=CC=CC=C43)OCC#C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=C(NNC2=O)C)C3=C(C=CC4=CC=CC=C43)OCC#C

InChI

InChI=1S/C22H20N4O3/c1-4-11-29-16-10-9-14-7-5-6-8-15(14)19(16)20(17-12(2)23-25-21(17)27)18-13(3)24-26-22(18)28/h1,5-10,20H,11H2,2-3H3,(H2,23,25,27)(H2,24,26,28)