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

Systemtic Name: N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-(2-pyridyl)cinchoninamide Formula: C27H21Cl2N5O MolecularWeight: 502.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)Cl)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)Cl)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C27H21Cl2N5O/c1-16-26(17(2)34(33-16)15-18-10-11-21(28)22(29)13-18)32-27(35)20-14-25(24-9-5-6-12-30-24)31-23-8-4-3-7-19(20)23/h3-14H,15H2,1-2H3,(H,32,35)