(4-ethoxy-3-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4/c1-2-26-15-5-4-13(12-14(15)22(24)25)16(23)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,2,8-11H2,1H3