1-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]-(3-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Systemtic Name: 1-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]-(3-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine Openeye Name: 1-[(E)-cinnamyl]-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(3-nitrophenyl)methyl]piperazine CAS Name: 1-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]-(3-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine IUPAC Name: 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(3-nitrophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine Traditional Name: 1-[(E)-cinnamyl]-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(3-nitrophenyl)methyl]piperazine Formula: C29H31N7O2 MolecularWeight: 509.60214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C29H31N7O2/c1-22-9-6-10-23(2)27(22)35-29(30-31-32-35)28(25-14-7-15-26(21-25)36(37)38)34-19-17-33(18-20-34)16-8-13-24-11-4-3-5-12-24/h3-15,21,28H,16-20H2,1-2H3/b13-8+