2-cyclopropyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-cyclopropyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-cyclopropyl-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-quinolinecarboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-cyclopropyl-cinchoninamide Formula: C26H26N4O MolecularWeight: 410.51084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C26H26N4O/c1-17-23(18(2)30(29-17)16-19-8-4-3-5-9-19)15-27-26(31)22-14-25(20-12-13-20)28-24-11-7-6-10-21(22)24/h3-11,14,20H,12-13,15-16H2,1-2H3,(H,27,31)