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

Systemtic Name: 4-[(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-chloro-5-ethoxy-4-propargyloxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)Cl)OCC#C

InChI

InChI=1S/C20H21ClN4O4/c1-5-7-29-18-13(21)8-12(9-14(18)28-6-2)17(15-10(3)22-24-19(15)26)16-11(4)23-25-20(16)27/h1,8-9,17H,6-7H2,2-4H3,(H2,22,24,26)(H2,23,25,27)