2-pyridin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-pyridin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-(3-pyridyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-(3-pyridinyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-pyridin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-(3-pyridyl)-N-[2-(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=C(C(=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)CN5C=NC=N5

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)CN5C=NC=N5

InChI

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