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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(3,4-diethoxybenzyl)-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C25H26N4O3 MolecularWeight: 430.49894

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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=C4)C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3/c1-4-31-23-11-10-17(12-24(23)32-5-2)14-26-25(30)20-13-22(18-15-27-29(3)16-18)28-21-9-7-6-8-19(20)21/h6-13,15-16H,4-5,14H2,1-3H3,(H,26,30)