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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=CC=C(C=C3)OCC4=CC=CC=C4)N5CCN(CC5)CC=CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)C(C3=CC=C(C=C3)OCC4=CC=CC=C4)N5CCN(CC5)C/C=C/C6=CC=CC=C6

InChI

InChI=1S/C36H38N6O/c1-28-11-9-12-29(2)34(28)42-36(37-38-39-42)35(32-18-20-33(21-19-32)43-27-31-15-7-4-8-16-31)41-25-23-40(24-26-41)22-10-17-30-13-5-3-6-14-30/h3-21,35H,22-27H2,1-2H3/b17-10+