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

Systemtic Name: 2-[[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-methyl-3-nitro-benzoyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-14-6-7-15(12-18(14)26(29)30)21(28)25-10-8-24(9-11-25)13-19-22-17-5-3-2-4-16(17)20(27)23-19/h2-7,12H,8-11,13H2,1H3,(H,22,23,27)