4-(4-methoxyphenoxy)-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methoxyphenoxy)-1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-methoxyphenoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-methoxyphenoxy)-1-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methoxyphenoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-methoxyphenoxy)-1-[4-(1-phenyltetrazol-5-yl)piperazino]butan-1-one Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H26N6O3/c1-30-19-9-11-20(12-10-19)31-17-5-8-21(29)26-13-15-27(16-14-26)22-23-24-25-28(22)18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-17H2,1H3