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

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[1-(3-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C27H25ClN6O MolecularWeight: 484.98

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(N(N=C4C)CC5=CC(=CC=C5)Cl)C

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(N(N=C4C)CC5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C27H25ClN6O/c1-4-33-16-20(14-29-33)25-13-23(22-10-5-6-11-24(22)30-25)27(35)31-26-17(2)32-34(18(26)3)15-19-8-7-9-21(28)12-19/h5-14,16H,4,15H2,1-3H3,(H,31,35)