2-methyl-3-[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-oxidanylidene-butyl]quinazolin-4-one Openeye Name: 2-methyl-3-[4-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-4-oxo-butyl]quinazolin-4-one CAS Name: 2-methyl-3-[4-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-4-oxobutyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-4-oxobutyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-[4-(6-nitro-3-pyridyl)piperazino]butyl]-2-methyl-quinazolin-4-one Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c1-16-24-19-6-3-2-5-18(19)22(30)27(16)10-4-7-21(29)26-13-11-25(12-14-26)17-8-9-20(23-15-17)28(31)32/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3