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

Systemtic Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5)C)OCC

InChI

InChI=1S/C28H28N6O3/c1-4-36-26-11-10-19(12-27(26)37-5-2)16-34-18-21(15-30-34)31-28(35)23-13-25(20-14-29-33(3)17-20)32-24-9-7-6-8-22(23)24/h6-15,17-18H,4-5,16H2,1-3H3,(H,31,35)