1-[[1-bromanyl-6-[(2-butyl-1-benzofuran-3-yl)methyl]naphthalen-2-yl]oxymethyl]-1,2,3,4-tetrazole

Systemtic Name: 1-[[1-bromanyl-6-[(2-butyl-1-benzofuran-3-yl)methyl]naphthalen-2-yl]oxymethyl]-1,2,3,4-tetrazole Openeye Name: 1-[[1-bromo-6-[(2-butylbenzofuran-3-yl)methyl]-2-naphthyl]oxymethyl]tetrazole CAS Name: 1-[[1-bromo-6-[(2-butyl-3-benzofuranyl)methyl]-2-naphthalenyl]oxymethyl]tetrazole IUPAC Name: 1-[[1-bromo-6-[(2-butyl-1-benzofuran-3-yl)methyl]naphthalen-2-yl]oxymethyl]tetrazole Traditional Name: 1-[[1-bromo-6-[(2-butylbenzofuran-3-yl)methyl]-2-naphthoxy]methyl]tetrazole Formula: C25H23BrN4O2 MolecularWeight: 491.37972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC4=C(C=C3)C(=C(C=C4)OCN5C=NN=N5)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC4=C(C=C3)C(=C(C=C4)OCN5C=NN=N5)Br

InChI

InChI=1S/C25H23BrN4O2/c1-2-3-7-23-21(20-6-4-5-8-22(20)32-23)14-17-9-11-19-18(13-17)10-12-24(25(19)26)31-16-30-15-27-28-29-30/h4-6,8-13,15H,2-3,7,14,16H2,1H3