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

Systemtic Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide Openeye Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide CAS Name: 2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-N-(2-phenylpropyl)-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide Traditional Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(2-phenylpropyl)cinchoninamide Formula: C31H30N4O MolecularWeight: 474.5961

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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)NCC(C)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC(C)C5=CC=CC=C5)C

InChI

InChI=1S/C31H30N4O/c1-4-23-14-16-25(17-15-23)35-22(3)28(20-33-35)30-18-27(26-12-8-9-13-29(26)34-30)31(36)32-19-21(2)24-10-6-5-7-11-24/h5-18,20-21H,4,19H2,1-3H3,(H,32,36)