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

Systemtic Name: 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1-ethylpyrazol-4-yl)-N-[4-(1-piperidylmethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-4-pyrazolyl)-N-[4-(1-piperidinylmethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1-ethylpyrazol-4-yl)-N-[4-(piperidinomethyl)phenyl]cinchoninamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O/c1-2-32-19-21(17-28-32)26-16-24(23-8-4-5-9-25(23)30-26)27(33)29-22-12-10-20(11-13-22)18-31-14-6-3-7-15-31/h4-5,8-13,16-17,19H,2-3,6-7,14-15,18H2,1H3,(H,29,33)