2-[[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-ethanoyl-2-nitro-phenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(4-acetyl-2-nitro-phenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(4-acetyl-2-nitrophenyl)-1-piperazinyl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(4-acetyl-2-nitrophenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(4-acetyl-2-nitro-phenyl)piperazino]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

InChI

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