2-[[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methoxy]ethylcarbamic acid

Systemtic Name: 2-[[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methoxy]ethylcarbamic acid Openeye Name: 2-[[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methoxy]ethylcarbamic acid CAS Name: 2-[[4-(phenylmethyl)-5-[1-(2-pyridinyl)-4-piperidinyl]-1,2,4-triazol-3-yl]methoxy]ethylcarbamic acid IUPAC Name: 2-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methoxy]ethylcarbamic acid Traditional Name: 2-[[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methoxy]ethylcarbamic acid Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NN=C(N2CC3=CC=CC=C3)COCCNC(=O)O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1C2=NN=C(N2CC3=CC=CC=C3)COCCNC(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C23H28N6O3/c30-23(31)25-12-15-32-17-21-26-27-22(29(21)16-18-6-2-1-3-7-18)19-9-13-28(14-10-19)20-8-4-5-11-24-20/h1-8,11,19,25H,9-10,12-17H2,(H,30,31)