N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoranyl-2-thiophen-2-yl-quinolin-3-yl)methyl]-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoranyl-2-thiophen-2-yl-quinolin-3-yl)methyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-fluoro-2-(2-thienyl)-3-quinolyl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-thiophen-2-yl-3-quinolinyl)methyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-thiophen-2-ylquinolin-3-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[[7-fluoro-2-(2-thienyl)-3-quinolyl]methyl]-2,5-dimethyl-N-piperonyl-pyrazole-3-carboxamide Formula: C28H23FN4O3S MolecularWeight: 514.570623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)F)C6=CC=CS6)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)F)C6=CC=CS6)C

InChI

InChI=1S/C28H23FN4O3S/c1-17-10-23(32(2)31-17)28(34)33(14-18-5-8-24-25(11-18)36-16-35-24)15-20-12-19-6-7-21(29)13-22(19)30-27(20)26-4-3-9-37-26/h3-13H,14-16H2,1-2H3