N-[4-[(2-methyl-6-piperidin-1-yl-pyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[(2-methyl-6-piperidin-1-yl-pyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[[2-methyl-6-(1-piperidyl)pyrimidin-4-yl]amino]phenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-methyl-6-(1-piperidinyl)-4-pyrimidinyl]amino]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[(2-methyl-6-piperidino-pyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide Formula: C23H24N6O3 MolecularWeight: 432.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C23H24N6O3/c1-16-24-21(15-22(25-16)28-12-3-2-4-13-28)26-18-8-10-19(11-9-18)27-23(30)17-6-5-7-20(14-17)29(31)32/h5-11,14-15H,2-4,12-13H2,1H3,(H,27,30)(H,24,25,26)