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

Systemtic Name: 2-(4-chlorophenyl)-N-[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[3-[(cyclohexylamino)-oxomethyl]-1-ethyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]cinchoninamide Formula: C28H28ClN5O2 MolecularWeight: 502.00722

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN5O2/c1-2-34-17-25(26(33-34)28(36)30-20-8-4-3-5-9-20)32-27(35)22-16-24(18-12-14-19(29)15-13-18)31-23-11-7-6-10-21(22)23/h6-7,10-17,20H,2-5,8-9H2,1H3,(H,30,36)(H,32,35)