N-[4-(piperidin-1-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-(piperidin-1-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[4-(1-piperidylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[4-(1-piperidinylmethyl)phenyl]-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(piperidin-1-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[4-(piperidinomethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CN5CCCCC5

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CN5CCCCC5

InChI

InChI=1S/C28H31N5O/c1-19-27(20(2)32(3)31-19)26-17-24(23-9-5-6-10-25(23)30-26)28(34)29-22-13-11-21(12-14-22)18-33-15-7-4-8-16-33/h5-6,9-14,17H,4,7-8,15-16,18H2,1-3H3,(H,29,34)