2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide

Systemtic Name: 2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide CAS Name: 2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2,6-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]cinchoninamide Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4)C

InChI

InChI=1S/C22H21N5O/c1-15-3-8-21-19(9-15)20(10-16(2)26-21)22(28)24-11-17-4-6-18(7-5-17)12-27-14-23-13-25-27/h3-10,13-14H,11-12H2,1-2H3,(H,24,28)