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

Systemtic Name: 4-[2-[3-(2-methyl-1,2,3,4-tetrazol-5-yl)phenoxy]phenyl]butan-2-one Openeye Name: 4-[2-[3-(2-methyltetrazol-5-yl)phenoxy]phenyl]butan-2-one CAS Name: 4-[2-[3-(2-methyl-5-tetrazolyl)phenoxy]phenyl]-2-butanone IUPAC Name: 4-[2-[3-(2-methyltetrazol-5-yl)phenoxy]phenyl]butan-2-one Traditional Name: 4-[2-[3-(2-methyltetrazol-5-yl)phenoxy]phenyl]butan-2-one Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=CC=C1OC2=CC=CC(=C2)C3=NN(N=N3)C

Isomeric SMILES

CC(=O)CCC1=CC=CC=C1OC2=CC=CC(=C2)C3=NN(N=N3)C

InChI

InChI=1S/C18H18N4O2/c1-13(23)10-11-14-6-3-4-9-17(14)24-16-8-5-7-15(12-16)18-19-21-22(2)20-18/h3-9,12H,10-11H2,1-2H3