2-methyl-3-[5-(2H-1,2,3,4-tetrazol-5-yl)pentyl]naphthalene-1,4-dione

Systemtic Name: 2-methyl-3-[5-(2H-1,2,3,4-tetrazol-5-yl)pentyl]naphthalene-1,4-dione Openeye Name: 2-methyl-3-[5-(2H-tetrazol-5-yl)pentyl]naphthalene-1,4-dione CAS Name: 2-methyl-3-[5-(2H-tetrazol-5-yl)pentyl]naphthalene-1,4-dione IUPAC Name: 2-methyl-3-[5-(2H-tetrazol-5-yl)pentyl]naphthalene-1,4-dione Traditional Name: 2-methyl-3-[5-(2H-tetrazol-5-yl)pentyl]-1,4-naphthoquinone Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)CCCCCC3=NNN=N3

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)CCCCCC3=NNN=N3

InChI

InChI=1S/C17H18N4O2/c1-11-12(7-3-2-4-10-15-18-20-21-19-15)17(23)14-9-6-5-8-13(14)16(11)22/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19,20,21)