3-nitro-N-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide Openeye Name: N-isopropyl-3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide CAS Name: 3-nitro-N-propan-2-yl-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzamide IUPAC Name: 3-nitro-N-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide Traditional Name: N-isopropyl-3-nitro-4-[4-(2-pyrimidyl)piperazino]benzamide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3/c1-13(2)21-17(25)14-4-5-15(16(12-14)24(26)27)22-8-10-23(11-9-22)18-19-6-3-7-20-18/h3-7,12-13H,8-11H2,1-2H3,(H,21,25)