2-[3-(2-azanyl-3-phenyl-propoxy)butan-2-yl]-4-[4-[4-[4-[[2-[2,4-bis(fluoranyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-[3-(2-azanyl-3-phenyl-propoxy)butan-2-yl]-4-[4-[4-[4-[[2-[2,4-bis(fluoranyl)phenyl]-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Openeye Name: 2-[2-(2-amino-3-phenyl-propoxy)-1-methyl-propyl]-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one CAS Name: 2-[3-(2-amino-3-phenylpropoxy)butan-2-yl]-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-[3-(2-amino-3-phenylpropoxy)butan-2-yl]-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Traditional Name: 2-[2-(2-amino-3-phenyl-propoxy)-1-methyl-propyl]-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]phenyl]-1,2,4-triazol-3-one Formula: C44H49F2N9O5 MolecularWeight: 821.913966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OCC(CC1=CC=CC=C1)N)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OCC6COC(O6)(CN7C=NC=N7)C8=C(C=C(C=C8)F)F

Isomeric SMILES

CC(C(C)OCC(CC1=CC=CC=C1)N)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OCC6COC(O6)(CN7C=NC=N7)C8=C(C=C(C=C8)F)F

InChI

InChI=1S/C44H49F2N9O5/c1-31(32(2)57-24-35(47)22-33-6-4-3-5-7-33)55-43(56)54(30-50-55)38-11-9-36(10-12-38)51-18-20-52(21-19-51)37-13-15-39(16-14-37)58-25-40-26-59-44(60-40,27-53-29-48-28-49-53)41-17-8-34(45)23-42(41)46/h3-17,23,28-32,35,40H,18-22,24-27,47H2,1-2H3