N-[2-(2-chlorophenyl)ethyl]-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)ethyl]-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-[2-(2-chlorophenyl)ethyl]-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-[2-(2-chlorophenyl)ethyl]-2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-[2-(2-chlorophenyl)ethyl]-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-[2-(2-chlorophenyl)ethyl]-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C30H27ClN4O MolecularWeight: 495.01458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC5=CC=CC=C5Cl)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC5=CC=CC=C5Cl)C

InChI

InChI=1S/C30H27ClN4O/c1-3-21-12-14-23(15-13-21)35-20(2)26(19-33-35)29-18-25(24-9-5-7-11-28(24)34-29)30(36)32-17-16-22-8-4-6-10-27(22)31/h4-15,18-19H,3,16-17H2,1-2H3,(H,32,36)