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

Systemtic Name: (3-methyl-2-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-methyl-2-nitro-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-methyl-2-nitrophenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-methyl-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-methyl-2-nitro-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H17N5O3/c1-12-4-2-5-13(14(12)21(23)24)15(22)19-8-10-20(11-9-19)16-17-6-3-7-18-16/h2-7H,8-11H2,1H3