N-[(3-chlorophenyl)methyl]-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C29H25ClN4O MolecularWeight: 480.988

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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)NCC5=CC(=CC=C5)Cl)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C29H25ClN4O/c1-3-20-11-13-23(14-12-20)34-19(2)26(18-32-34)28-16-25(24-9-4-5-10-27(24)33-28)29(35)31-17-21-7-6-8-22(30)15-21/h4-16,18H,3,17H2,1-2H3,(H,31,35)