2-methyl-3-[6-[(4-nitrophenyl)diazenyl]-7-azabicyclo[4.1.0]heptan-7-yl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[6-[(4-nitrophenyl)diazenyl]-7-azabicyclo[4.1.0]heptan-7-yl]quinazolin-4-one Openeye Name: 2-methyl-3-[6-(4-nitrophenyl)azo-7-azabicyclo[4.1.0]heptan-7-yl]quinazolin-4-one CAS Name: 2-methyl-3-[6-(4-nitrophenyl)azo-7-azabicyclo[4.1.0]heptan-7-yl]-4-quinazolinone IUPAC Name: 2-methyl-3-[6-[(4-nitrophenyl)diazenyl]-7-azabicyclo[4.1.0]heptan-7-yl]quinazolin-4-one Traditional Name: 2-methyl-3-[6-(4-nitrophenyl)azo-7-azabicyclo[4.1.0]heptan-7-yl]quinazolin-4-one Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N3C4C3(CCCC4)N=NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1N3C4C3(CCCC4)N=NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3/c1-14-22-18-7-3-2-6-17(18)20(28)25(14)26-19-8-4-5-13-21(19,26)24-23-15-9-11-16(12-10-15)27(29)30/h2-3,6-7,9-12,19H,4-5,8,13H2,1H3