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

Systemtic Name: 1-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]-[3-(4-methylphenoxy)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine Openeye Name: 1-[(E)-cinnamyl]-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-[3-(4-methylphenoxy)phenyl]methyl]piperazine CAS Name: 1-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]-[3-(4-methylphenoxy)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine IUPAC Name: 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-[3-(4-methylphenoxy)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine Traditional Name: 1-[(E)-cinnamyl]-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-[3-(4-methylphenoxy)phenyl]methyl]piperazine Formula: C36H38N6O MolecularWeight: 570.72652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC(=C2)C(C3=NN=NN3C4=C(C=CC=C4C)C)N5CCN(CC5)CC=CC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC(=C2)C(C3=NN=NN3C4=C(C=CC=C4C)C)N5CCN(CC5)C/C=C/C6=CC=CC=C6

InChI

InChI=1S/C36H38N6O/c1-27-17-19-32(20-18-27)43-33-16-8-15-31(26-33)35(36-37-38-39-42(36)34-28(2)10-7-11-29(34)3)41-24-22-40(23-25-41)21-9-14-30-12-5-4-6-13-30/h4-20,26,35H,21-25H2,1-3H3/b14-9+