N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-homoveratryl-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H28N4O3/c1-16-25(17(2)30(3)29-16)22-15-20(19-8-6-7-9-21(19)28-22)26(31)27-13-12-18-10-11-23(32-4)24(14-18)33-5/h6-11,14-15H,12-13H2,1-5H3,(H,27,31)