3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzamide CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzamide IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzamide Formula: C28H26N4O5 MolecularWeight: 498.52984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H26N4O5/c1-18-26(28(35)32(31(18)2)22-9-4-3-5-10-22)30-27(34)20-7-6-8-21(16-20)29-25(33)14-12-19-11-13-23-24(15-19)37-17-36-23/h3-11,13,15-16H,12,14,17H2,1-2H3,(H,29,33)(H,30,34)