8-chloranyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: 8-chloranyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 8-chloro-N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 8-chloro-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 8-chloro-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 8-chloro-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]-2-(4-pyridyl)cinchoninamide Formula: C25H19ClN6O MolecularWeight: 454.91096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=NC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=NC=C5

InChI

InChI=1S/C25H19ClN6O/c1-16-4-2-5-17(12-16)14-32-15-28-25(31-32)30-24(33)20-13-22(18-8-10-27-11-9-18)29-23-19(20)6-3-7-21(23)26/h2-13,15H,14H2,1H3,(H,30,31,33)