2-(1-methylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(1-methylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1-methylpyrazol-4-yl)-N-[4-(1-piperidylmethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(1-methyl-4-pyrazolyl)-N-[4-(1-piperidinylmethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-methylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1-methylpyrazol-4-yl)-N-[4-(piperidinomethyl)phenyl]cinchoninamide Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CN5CCCCC5

Isomeric SMILES

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CN5CCCCC5

InChI

InChI=1S/C26H27N5O/c1-30-18-20(16-27-30)25-15-23(22-7-3-4-8-24(22)29-25)26(32)28-21-11-9-19(10-12-21)17-31-13-5-2-6-14-31/h3-4,7-12,15-16,18H,2,5-6,13-14,17H2,1H3,(H,28,32)