[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-[2-(dimethylamino)-5-nitrophenyl]methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[2-(dimethylamino)-5-nitrophenyl]methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-[2-(dimethylamino)-5-nitro-phenyl]methanone Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H25N7O3/c1-26(2)19-8-7-15(29(31)32)13-17(19)22(30)28-11-9-27(10-12-28)14-20-24-18-6-4-3-5-16(18)21(23)25-20/h3-8,13H,9-12,14H2,1-2H3,(H2,23,24,25)