2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-N-(phenylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-N-(phenylmethyl)quinoline-4-carboxamide Openeye Name: N-benzyl-2-[1-(4-isopropylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: 2-[5-methyl-1-(4-propan-2-ylphenyl)-4-pyrazolyl]-N-(phenylmethyl)-4-quinolinecarboxamide IUPAC Name: N-benzyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-benzyl-2-(5-methyl-1-p-cumenyl-pyrazol-4-yl)cinchoninamide Formula: C30H28N4O MolecularWeight: 460.56952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)C(C)C)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)C(C)C)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C30H28N4O/c1-20(2)23-13-15-24(16-14-23)34-21(3)27(19-32-34)29-17-26(25-11-7-8-12-28(25)33-29)30(35)31-18-22-9-5-4-6-10-22/h4-17,19-20H,18H2,1-3H3,(H,31,35)