2-[[4-[2-(methylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[2-(methylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-(methylamino)-5-nitro-benzoyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[[2-(methylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-(methylamino)-5-nitrobenzoyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-(methylamino)-5-nitro-benzoyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N6O4/c1-22-17-7-6-14(27(30)31)12-16(17)21(29)26-10-8-25(9-11-26)13-19-23-18-5-3-2-4-15(18)20(28)24-19/h2-7,12,22H,8-11,13H2,1H3,(H,23,24,28)