N'-[1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-[1-(3-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[[1-(3-chlorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-[1-(3-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]-4-keto-phthalazine-1-carbohydrazide Formula: C25H25ClN6O3 MolecularWeight: 492.9574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(N(N=C3)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(N(N=C3)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C25H25ClN6O3/c1-3-4-7-13-31-25(35)20-12-6-5-11-19(20)22(30-31)24(34)29-28-23(33)21-15-27-32(16(21)2)18-10-8-9-17(26)14-18/h5-6,8-12,14-15H,3-4,7,13H2,1-2H3,(H,28,33)(H,29,34)