1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(2-phenoxyethyl)piperazine

Systemtic Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(2-phenoxyethyl)piperazine Openeye Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(2-phenoxyethyl)piperazine CAS Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(2-phenoxyethyl)piperazine IUPAC Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(2-phenoxyethyl)piperazine Traditional Name: 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]-4-(2-phenoxyethyl)piperazine Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CN3C=NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c28-27(29)19-8-6-18(7-9-19)21-22-16-26(23-21)17-25-12-10-24(11-13-25)14-15-30-20-4-2-1-3-5-20/h1-9,16H,10-15,17H2