1-[(3,4-dimethoxyphenyl)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]-4-prop-2-enyl-piperazine

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]-4-prop-2-enyl-piperazine Openeye Name: 1-allyl-4-[(3,4-dimethoxyphenyl)-(1-phenethyltetrazol-5-yl)methyl]piperazine CAS Name: 1-[(3,4-dimethoxyphenyl)-(1-phenethyl-5-tetrazolyl)methyl]-4-prop-2-enylpiperazine IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(1-phenethyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine Traditional Name: 1-allyl-4-[(3,4-dimethoxyphenyl)-(1-phenethyltetrazol-5-yl)methyl]piperazine Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NN=NN2CCC3=CC=CC=C3)N4CCN(CC4)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NN=NN2CCC3=CC=CC=C3)N4CCN(CC4)CC=C)OC

InChI

InChI=1S/C25H32N6O2/c1-4-13-29-15-17-30(18-16-29)24(21-10-11-22(32-2)23(19-21)33-3)25-26-27-28-31(25)14-12-20-8-6-5-7-9-20/h4-11,19,24H,1,12-18H2,2-3H3