1-[3-[[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3/c1-17(30)20-8-5-9-21(15-20)27-23-22(29(31)32)24(26-16-25-23)28-12-10-19(11-13-28)14-18-6-3-2-4-7-18/h2-9,15-16,19H,10-14H2,1H3,(H,25,26,27)