N-(3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-(3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: N-(3-nitrophenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(3-nitrophenyl)-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H20N6O3/c1-13(16(24)20-14-4-2-5-15(12-14)23(25)26)21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12-13H,8-11H2,1H3,(H,20,24)