2-pyridin-4-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-pyridin-4-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-(4-pyridyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-pyridin-4-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-pyridin-4-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-(4-pyridyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]cinchoninamide Formula: C25H20N6O MolecularWeight: 420.4659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NCC4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)NCC4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C25H20N6O/c32-25(28-14-18-5-7-19(8-6-18)15-31-17-27-16-29-31)22-13-24(20-9-11-26-12-10-20)30-23-4-2-1-3-21(22)23/h1-13,16-17H,14-15H2,(H,28,32)