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

Systemtic Name: [4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methylcarbamic acid Openeye Name: [4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methylcarbamic acid CAS Name: [4-(phenylmethyl)-5-[1-(2-pyridinyl)-4-piperidinyl]-1,2,4-triazol-3-yl]methylcarbamic acid IUPAC Name: [4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methylcarbamic acid Traditional Name: [4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methylcarbamic acid Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c28-21(29)23-14-19-24-25-20(27(19)15-16-6-2-1-3-7-16)17-9-12-26(13-10-17)18-8-4-5-11-22-18/h1-8,11,17,23H,9-10,12-15H2,(H,28,29)