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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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