3,5-bis(chloranyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-heptoxy-benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-heptoxy-benzamide Openeye Name: 3,5-dichloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-heptoxy-benzamide CAS Name: 3,5-dichloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-heptoxybenzamide IUPAC Name: 3,5-dichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-heptoxybenzamide Traditional Name: 3,5-dichloro-4-heptoxy-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C25H29Cl2N3O3 MolecularWeight: 490.42206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)Cl

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1Cl)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)Cl

InChI

InChI=1S/C25H29Cl2N3O3/c1-4-5-6-7-11-14-33-23-20(26)15-18(16-21(23)27)24(31)28-22-17(2)29(3)30(25(22)32)19-12-9-8-10-13-19/h8-10,12-13,15-16H,4-7,11,14H2,1-3H3,(H,28,31)