1-[4-[4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[[4-(4-nitrophenyl)-2-pyrimidinyl]amino]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[4-(4-nitrophenyl)pyrimidin-2-yl]amino]benzoyl]piperazino]ethanone Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O4/c1-16(30)27-12-14-28(15-13-27)22(31)18-2-6-19(7-3-18)25-23-24-11-10-21(26-23)17-4-8-20(9-5-17)29(32)33/h2-11H,12-15H2,1H3,(H,24,25,26)