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

Systemtic Name: 2-(4-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-(4-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]cinchoninamide Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C27H23N5O2/c1-34-22-12-10-21(11-13-22)26-14-24(23-4-2-3-5-25(23)31-26)27(33)29-15-19-6-8-20(9-7-19)16-32-18-28-17-30-32/h2-14,17-18H,15-16H2,1H3,(H,29,33)