N-[(3,4-diethoxyphenyl)methyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-2-(1,3-dimethylpyrazol-4-yl)cinchoninamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN(N=C4C)C)OCC

InChI

InChI=1S/C26H28N4O3/c1-5-32-24-12-11-18(13-25(24)33-6-2)15-27-26(31)20-14-23(21-16-30(4)29-17(21)3)28-22-10-8-7-9-19(20)22/h7-14,16H,5-6,15H2,1-4H3,(H,27,31)