methyl 1-methyl-5-[4-[3-(piperidin-1-ylmethyl)phenoxy]butanoylamino]-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 1-methyl-5-[4-[3-(piperidin-1-ylmethyl)phenoxy]butanoylamino]-1,2,4-triazole-3-carboxylate Openeye Name: methyl 1-methyl-5-[4-[3-(1-piperidylmethyl)phenoxy]butanoylamino]-1,2,4-triazole-3-carboxylate CAS Name: 1-methyl-5-[[1-oxo-4-[3-(1-piperidinylmethyl)phenoxy]butyl]amino]-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-[4-[3-(piperidin-1-ylmethyl)phenoxy]butanoylamino]-1,2,4-triazole-3-carboxylate Traditional Name: 1-methyl-5-[4-[3-(piperidinomethyl)phenoxy]butanoylamino]-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C(=O)OC)NC(=O)CCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CN1C(=NC(=N1)C(=O)OC)NC(=O)CCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C21H29N5O4/c1-25-21(23-19(24-25)20(28)29-2)22-18(27)10-7-13-30-17-9-6-8-16(14-17)15-26-11-4-3-5-12-26/h6,8-9,14H,3-5,7,10-13,15H2,1-2H3,(H,22,23,24,27)