ethyl 3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl 3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 3-[4-[3-(1-piperidylmethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[4-[3-(1-piperidinylmethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[4-[3-(piperidinomethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NN1)NCCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=NC(=NN1)NCCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C21H31N5O3/c1-2-28-20(27)19-23-21(25-24-19)22-11-4-7-14-29-18-10-8-9-17(15-18)16-26-12-5-3-6-13-26/h8-10,15H,2-7,11-14,16H2,1H3,(H2,22,23,24,25)