N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)-4-(4-pentylphenoxy)benzamide

Systemtic Name: N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)-4-(4-pentylphenoxy)benzamide Openeye Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-4-(4-pentylphenoxy)benzamide CAS Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-4-(4-pentylphenoxy)benzamide IUPAC Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-4-(4-pentylphenoxy)benzamide Traditional Name: 4-(4-amylphenoxy)-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)benzamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-2-3-5-8-20-11-15-23(16-12-20)33-24-17-13-21(14-18-24)27(32)28-25-19-26(31)30(29-25)22-9-6-4-7-10-22/h4,6-7,9-19,29H,2-3,5,8H2,1H3,(H,28,32)