1-[4-[4-[4-[[4-[2,4-bis(fluoranyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-ethyl-5-propyl-1,3,5-triazinane-2,4,6-trione

Systemtic Name: 1-[4-[4-[4-[[4-[2,4-bis(fluoranyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-ethyl-5-propyl-1,3,5-triazinane-2,4,6-trione Openeye Name: 1-[4-[4-[4-[[4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-ethyl-5-propyl-1,3,5-triazinane-2,4,6-trione CAS Name: 1-[4-[4-[4-[[4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-3-ethyl-5-propyl-1,3,5-triazinane-2,4,6-trione IUPAC Name: 1-[4-[4-[4-[[4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-3-ethyl-5-propyl-1,3,5-triazinane-2,4,6-trione Traditional Name: 1-[4-[4-[4-[[4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methoxy]phenyl]piperazino]phenyl]-3-ethyl-5-propyl-isocyanuric acid Formula: C37H40F2N8O6 MolecularWeight: 730.760306

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)N(C(=O)N(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5OCC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F)CC

Isomeric SMILES

CCCN1C(=O)N(C(=O)N(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5OCC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F)CC

InChI

InChI=1S/C37H40F2N8O6/c1-3-15-46-34(48)45(4-2)35(49)47(36(46)50)29-8-6-27(7-9-29)42-16-18-43(19-17-42)28-10-12-30(13-11-28)51-21-33-52-23-37(53-33,22-44-25-40-24-41-44)31-14-5-26(38)20-32(31)39/h5-14,20,24-25,33H,3-4,15-19,21-23H2,1-2H3