2-chloranyl-N-[3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[3-methyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[3-methyl-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-methyl-1-[4-(2-pyrimidyl)piperazine-1-carbonyl]propyl]-4-nitro-benzamide Formula: C20H23ClN6O4 MolecularWeight: 446.88742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H23ClN6O4/c1-13(2)17(24-18(28)15-5-4-14(27(30)31)12-16(15)21)19(29)25-8-10-26(11-9-25)20-22-6-3-7-23-20/h3-7,12-13,17H,8-11H2,1-2H3,(H,24,28)