4-chloranyl-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-nitro-benzamide Openeye Name: 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-2-nitro-benzamide CAS Name: 4-chloro-N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-nitrobenzamide Traditional Name: 4-chloro-N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-2-nitro-benzamide Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN5O3/c1-22-6-8-23(9-7-22)17-5-2-13(11-20-17)12-21-18(25)15-4-3-14(19)10-16(15)24(26)27/h2-5,10-11H,6-9,12H2,1H3,(H,21,25)