2-[2,4-bis(fluoranyl)phenyl]-3-[5-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-3-[5-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1,2,3,4-tetrazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 3-[5-[2-(4-benzylpiperazin-1-yl)ethyl]tetrazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 2-(2,4-difluorophenyl)-3-[5-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2-tetrazolyl]-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 3-[5-[2-(4-benzylpiperazin-1-yl)ethyl]tetrazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 3-[5-[2-(4-benzylpiperazino)ethyl]tetrazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C26H31F2N9O MolecularWeight: 523.580846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3N=C(N=N3)CCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3N=C(N=N3)CCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H31F2N9O/c1-20(26(38,17-36-19-29-18-30-36)23-8-7-22(27)15-24(23)28)37-32-25(31-33-37)9-10-34-11-13-35(14-12-34)16-21-5-3-2-4-6-21/h2-8,15,18-20,38H,9-14,16-17H2,1H3