N-[[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]ethanamine

Systemtic Name: N-[[4-(phenylmethyl)-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]ethanamine Openeye Name: N-[[4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methyl]ethanamine CAS Name: N-[[4-(phenylmethyl)-5-[1-(2-pyridinyl)-4-piperidinyl]-1,2,4-triazol-3-yl]methyl]ethanamine IUPAC Name: N-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]ethanamine Traditional Name: [4-benzyl-5-[1-(2-pyridyl)-4-piperidyl]-1,2,4-triazol-3-yl]methyl-ethyl-amine Formula: C22H28N6 MolecularWeight: 376.49792

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCNCC1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H28N6/c1-2-23-16-21-25-26-22(28(21)17-18-8-4-3-5-9-18)19-11-14-27(15-12-19)20-10-6-7-13-24-20/h3-10,13,19,23H,2,11-12,14-17H2,1H3