N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-piperonyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C23H19N3O3S/c27-23(24-12-17-8-9-19-20(11-17)29-15-28-19)18-14-26(13-16-5-2-1-3-6-16)25-22(18)21-7-4-10-30-21/h1-11,14H,12-13,15H2,(H,24,27)