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

Systemtic Name: 2-propan-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide CAS Name: 2-propan-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-propan-2-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide Traditional Name: 2-isopropyl-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]cinchoninamide Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C23H23N5O/c1-16(2)22-11-20(19-5-3-4-6-21(19)27-22)23(29)25-12-17-7-9-18(10-8-17)13-28-15-24-14-26-28/h3-11,14-16H,12-13H2,1-2H3,(H,25,29)