N-[(3-methylphenyl)methyl]-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-[(3-methylphenyl)methyl]-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: 2-[1-(4-isopropylphenyl)-5-methyl-pyrazol-4-yl]-N-(m-tolylmethyl)quinoline-4-carboxamide CAS Name: N-[(3-methylphenyl)methyl]-2-[5-methyl-1-(4-propan-2-ylphenyl)-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-[(3-methylphenyl)methyl]-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(3-methylbenzyl)-2-(5-methyl-1-p-cumenyl-pyrazol-4-yl)cinchoninamide Formula: C31H30N4O MolecularWeight: 474.5961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C5=CC=C(C=C5)C(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C5=CC=C(C=C5)C(C)C)C

InChI

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