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

Systemtic Name: 4-[(4-heptoxyphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-heptoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-heptoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-heptoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(4-heptoxyphenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C

InChI

InChI=1S/C22H30N4O3/c1-4-5-6-7-8-13-29-17-11-9-16(10-12-17)20(18-14(2)23-25-21(18)27)19-15(3)24-26-22(19)28/h9-12,20H,4-8,13H2,1-3H3,(H2,23,25,27)(H2,24,26,28)