2,5-dimethyl-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1,2,4-triazol-3-amine

Systemtic Name: 2,5-dimethyl-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1,2,4-triazol-3-amine Openeye Name: 2,5-dimethyl-N-[4-[3-(1-piperidylmethyl)phenoxy]butyl]-1,2,4-triazol-3-amine CAS Name: 2,5-dimethyl-N-[4-[3-(1-piperidinylmethyl)phenoxy]butyl]-1,2,4-triazol-3-amine IUPAC Name: 2,5-dimethyl-N-[4-[3-(piperidin-1-ylmethyl)phenoxy]butyl]-1,2,4-triazol-3-amine Traditional Name: (2,5-dimethyl-1,2,4-triazol-3-yl)-[4-[3-(piperidinomethyl)phenoxy]butyl]amine Formula: C20H31N5O MolecularWeight: 357.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)NCCCCOC2=CC=CC(=C2)CN3CCCCC3)C

Isomeric SMILES

CC1=NN(C(=N1)NCCCCOC2=CC=CC(=C2)CN3CCCCC3)C

InChI

InChI=1S/C20H31N5O/c1-17-22-20(24(2)23-17)21-11-4-7-14-26-19-10-8-9-18(15-19)16-25-12-5-3-6-13-25/h8-10,15H,3-7,11-14,16H2,1-2H3,(H,21,22,23)