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]-2-[1-(2-diethylaminoethyloxy)butan-2-yl]-1,2,4-triazol-3-one

Systemtic Name: 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]-2-[1-(2-diethylaminoethyloxy)butan-2-yl]-1,2,4-triazol-3-one Openeye Name: 2-[1-(2-diethylaminoethyloxymethyl)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-[1-(2-diethylaminoethyloxy)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-[1-(2-diethylaminoethyloxy)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-[1-(2-diethylaminoethyloxymethyl)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: C41H51F2N9O5 MolecularWeight: 787.897746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCCN(CC)CC)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

Isomeric SMILES

CCC(COCCN(CC)CC)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

InChI

InChI=1S/C41H51F2N9O5/c1-4-32(24-54-22-21-47(5-2)6-3)52-40(53)51(30-46-52)35-10-8-33(9-11-35)48-17-19-49(20-18-48)34-12-14-36(15-13-34)55-25-37-26-56-41(57-37,27-50-29-44-28-45-50)38-16-7-31(42)23-39(38)43/h7-16,23,28-30,32,37H,4-6,17-22,24-27H2,1-3H3