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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoylamino]benzamide Traditional Name: 2-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-N-piperonyl-benzamide Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H28N4O4/c1-19-23(20(2)33(32-19)22-8-4-3-5-9-22)13-15-28(34)31-25-11-7-6-10-24(25)29(35)30-17-21-12-14-26-27(16-21)37-18-36-26/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,30,35)(H,31,34)