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

Systemtic Name: 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide Openeye Name: 2-(1-ethylpyrazol-4-yl)-N-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-4-pyrazolyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethylpyrazol-4-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide Traditional Name: 2-(1-ethylpyrazol-4-yl)-N-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]cinchoninamide Formula: C25H23N7O MolecularWeight: 437.49642

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=N4)CC5=CC=CC(=C5)C

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NN(C=N4)CC5=CC=CC(=C5)C

InChI

InChI=1S/C25H23N7O/c1-3-31-15-19(13-27-31)23-12-21(20-9-4-5-10-22(20)28-23)24(33)29-25-26-16-32(30-25)14-18-8-6-7-17(2)11-18/h4-13,15-16H,3,14H2,1-2H3,(H,29,30,33)