4-butan-2-yl-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]-1,2,4-triazol-3-one

Systemtic Name: 4-butan-2-yl-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]-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-sec-butyl-1,2,4-triazol-3-one CAS Name: 4-butan-2-yl-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]-1,2,4-triazol-3-one IUPAC Name: 4-butan-2-yl-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]-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-sec-butyl-1,2,4-triazol-3-one Formula: C36H41ClN8O4 MolecularWeight: 685.21494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=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

CCC(C)N1C=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/c1-4-26(2)44-25-39-45(35(44)46)31-11-9-29(10-12-31)42-17-19-43(20-18-42)30-13-15-32(16-14-30)47-22-33-23-48-36(49-33,21-34-40-38-24-41(34)3)27-5-7-28(37)8-6-27/h5-16,24-26,33H,4,17-23H2,1-3H3