2,7-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-3-carboxamide

Systemtic Name: 2,7-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-3-carboxamide Openeye Name: 2,7-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-3-carboxamide CAS Name: 2,7-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-quinolinecarboxamide IUPAC Name: 2,7-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-3-carboxamide Traditional Name: 2,7-dimethyl-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]quinoline-3-carboxamide Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C(=O)NCC3=CC=CC=C3CN4C=NC=N4)C

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C(=O)NCC3=CC=CC=C3CN4C=NC=N4)C

InChI

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