2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H24N6O3/c1-15(16-5-3-6-17(13-16)25(27)28)22(2)14-18(26)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h3-8,13,15H,9-12,14H2,1-2H3