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

Systemtic Name: 2-(1,5-dimethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1,5-dimethylpyrazol-4-yl)-N-[4-(1-piperidylmethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(1,5-dimethyl-4-pyrazolyl)-N-[4-(1-piperidinylmethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,5-dimethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1,5-dimethylpyrazol-4-yl)-N-[4-(piperidinomethyl)phenyl]cinchoninamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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