2-[4-[4-[4-[[2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-(2-methylpropyl)-1,2,4-triazol-3-one

Systemtic Name: 2-[4-[4-[4-[[2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-(2-methylpropyl)-1,2,4-triazol-3-one Openeye Name: 2-[4-[4-[4-[[2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-isobutyl-1,2,4-triazol-3-one CAS Name: 2-[4-[4-[4-[[2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-4-(2-methylpropyl)-1,2,4-triazol-3-one IUPAC Name: 2-[4-[4-[4-[[2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-4-(2-methylpropyl)-1,2,4-triazol-3-one Traditional Name: 2-[4-[4-[4-[[2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]phenyl]-4-isobutyl-1,2,4-triazol-3-one Formula: C36H41ClN8O4 MolecularWeight: 685.21494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CC6=NN=CN6C)C7=CC=C(C=C7)Cl

Isomeric SMILES

CC(C)CN1C=NN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CC6=NN=CN6C)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C36H41ClN8O4/c1-26(2)21-44-25-39-45(35(44)46)31-10-8-29(9-11-31)42-16-18-43(19-17-42)30-12-14-32(15-13-30)47-22-33-23-48-36(49-33,20-34-40-38-24-41(34)3)27-4-6-28(37)7-5-27/h4-15,24-26,33H,16-23H2,1-3H3