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

Systemtic Name: N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)-4-pentan-2-yl-benzamide Openeye Name: 4-(1-methylbutyl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)benzamide CAS Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-4-pentan-2-ylbenzamide IUPAC Name: N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-4-pentan-2-ylbenzamide Traditional Name: N-(5-keto-1-phenyl-3-pyrazolin-3-yl)-4-(1-methylbutyl)benzamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=C(C=C1)C(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3

Isomeric SMILES

CCCC(C)C1=CC=C(C=C1)C(=O)NC2=CC(=O)N(N2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-3-7-15(2)16-10-12-17(13-11-16)21(26)22-19-14-20(25)24(23-19)18-8-5-4-6-9-18/h4-6,8-15,23H,3,7H2,1-2H3,(H,22,26)