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

Systemtic Name: 1-[3-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C29H28N6O3 MolecularWeight: 508.57102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N6O3/c1-21(36)24-13-8-14-25(19-24)32-28-27(35(37)38)29(31-20-30-28)34-17-15-33(16-18-34)26(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19-20,26H,15-18H2,1H3,(H,30,31,32)