N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-oxo-3-(1-phenyl-4-pyrazolyl)propyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide Traditional Name: 2-[3-(1-phenylpyrazol-4-yl)propanoylamino]-N-piperonyl-benzamide Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)CCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)CCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4/c32-26(13-11-20-16-29-31(17-20)21-6-2-1-3-7-21)30-23-9-5-4-8-22(23)27(33)28-15-19-10-12-24-25(14-19)35-18-34-24/h1-10,12,14,16-17H,11,13,15,18H2,(H,28,33)(H,30,32)