2-(4-tert-butylphenoxy)-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-tert-butylphenoxy)-1-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazino]propan-1-one Formula: C24H30N6O2 MolecularWeight: 434.534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NN=NN2C3=CC=CC=C3)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C24H30N6O2/c1-18(32-21-12-10-19(11-13-21)24(2,3)4)22(31)28-14-16-29(17-15-28)23-25-26-27-30(23)20-8-6-5-7-9-20/h5-13,18H,14-17H2,1-4H3