1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-methyl-5-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxylic acid CAS Name: 1-methyl-5-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-methyl-5-[3-[3-(piperidinomethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxylic acid Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C(=O)O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CN1C(=NC(=N1)C(=O)O)NCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C19H27N5O3/c1-23-19(21-17(22-23)18(25)26)20-9-6-12-27-16-8-5-7-15(13-16)14-24-10-3-2-4-11-24/h5,7-8,13H,2-4,6,9-12,14H2,1H3,(H,25,26)(H,20,21,22)