2-[[4-[4-(dimethylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[4-(dimethylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[4-(dimethylamino)-3-nitro-benzoyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[4-(dimethylamino)-3-nitrobenzoyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[4-(dimethylamino)-3-nitro-benzoyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C22H24N6O4 MolecularWeight: 436.46376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O4/c1-25(2)18-8-7-15(13-19(18)28(31)32)22(30)27-11-9-26(10-12-27)14-20-23-17-6-4-3-5-16(17)21(29)24-20/h3-8,13H,9-12,14H2,1-2H3,(H,23,24,29)