N-[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-[(cyclohexylamino)-oxomethyl]-1-ethyl-4-pyrazolyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]-2-(4-pyridyl)cinchoninamide Formula: C27H28N6O2 MolecularWeight: 468.55022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2CCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2CCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C27H28N6O2/c1-2-33-17-24(25(32-33)27(35)29-19-8-4-3-5-9-19)31-26(34)21-16-23(18-12-14-28-15-13-18)30-22-11-7-6-10-20(21)22/h6-7,10-17,19H,2-5,8-9H2,1H3,(H,29,35)(H,31,34)