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

Systemtic Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[4-(1-piperidylmethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(1,3-dimethyl-4-pyrazolyl)-N-[4-(1-piperidinylmethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[4-(piperidinomethyl)phenyl]cinchoninamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CN5CCCCC5)C

Isomeric SMILES

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CN5CCCCC5)C

InChI

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