1-[4-[6-nitro-4-(phenethylamino)quinazolin-7-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[6-nitro-4-(phenethylamino)quinazolin-7-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[6-nitro-4-(phenethylamino)quinazolin-7-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-nitro-4-(phenethylamino)-7-quinazolinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[6-nitro-4-(phenethylamino)quinazolin-7-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[6-nitro-4-(phenethylamino)quinazolin-7-yl]piperazino]ethanone Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3/c1-16(29)26-9-11-27(12-10-26)20-14-19-18(13-21(20)28(30)31)22(25-15-24-19)23-8-7-17-5-3-2-4-6-17/h2-6,13-15H,7-12H2,1H3,(H,23,24,25)