1-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenyltetrazol-5-one Traditional Name: 1-[[4-(3-fluoro-4-methoxy-benzyl)piperazino]methyl]-4-phenyl-tetrazol-5-one Formula: C20H23FN6O2 MolecularWeight: 398.434023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CN3C(=O)N(N=N3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CN3C(=O)N(N=N3)C4=CC=CC=C4)F

InChI

InChI=1S/C20H23FN6O2/c1-29-19-8-7-16(13-18(19)21)14-24-9-11-25(12-10-24)15-26-20(28)27(23-22-26)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3