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

Systemtic Name: 3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxamide Openeye Name: 3-[4-[3-(1-piperidylmethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxamide CAS Name: 3-[4-[3-(1-piperidinylmethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: 3-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxamide Traditional Name: 3-[4-[3-(piperidinomethyl)phenoxy]butylamino]-1H-1,2,4-triazole-5-carboxamide Formula: C19H28N6O2 MolecularWeight: 372.46462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCCNC3=NNC(=N3)C(=O)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCCNC3=NNC(=N3)C(=O)N

InChI

InChI=1S/C19H28N6O2/c20-17(26)18-22-19(24-23-18)21-9-2-5-12-27-16-8-6-7-15(13-16)14-25-10-3-1-4-11-25/h6-8,13H,1-5,9-12,14H2,(H2,20,26)(H2,21,22,23,24)