N-[(2-ethoxyphenyl)methyl]-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(2-ethoxybenzyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C31H30N4O2 MolecularWeight: 490.5955

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5OCC)C

InChI

InChI=1S/C31H30N4O2/c1-4-22-14-16-24(17-15-22)35-21(3)27(20-33-35)29-18-26(25-11-7-8-12-28(25)34-29)31(36)32-19-23-10-6-9-13-30(23)37-5-2/h6-18,20H,4-5,19H2,1-3H3,(H,32,36)