4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazine-1-carbaldehyde Openeye Name: 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazine-1-carbaldehyde Traditional Name: 4-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzyl]piperazine-1-carbaldehyde Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCN(CC4)C=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4CCN(CC4)C=O

InChI

InChI=1S/C21H23N5O2/c1-28-19-7-5-17(6-8-19)20-22-21(24-23-20)18-4-2-3-16(13-18)14-25-9-11-26(15-27)12-10-25/h2-8,13,15H,9-12,14H2,1H3,(H,22,23,24)