2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CN5CCCCC5

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CN5CCCCC5

InChI

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