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

Systemtic Name: 4-(4-butoxyphenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 4-(4-butoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 4-(4-butoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 4-(4-butoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 4-(4-butoxyphenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C28H29N3O3/c1-4-5-19-34-25-17-15-22(16-18-25)21-11-13-23(14-12-21)27(32)29-26-20(2)30(3)31(28(26)33)24-9-7-6-8-10-24/h6-18H,4-5,19H2,1-3H3,(H,29,32)