4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylamino]-3-nitro-benzonitrile CAS Name: 4-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]-3-nitrobenzonitrile Traditional Name: 4-[[6-(4-methylpiperazino)-3-pyridyl]methylamino]-3-nitro-benzonitrile Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O2/c1-22-6-8-23(9-7-22)18-5-3-15(13-21-18)12-20-16-4-2-14(11-19)10-17(16)24(25)26/h2-5,10,13,20H,6-9,12H2,1H3