4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[3-methyl-2-(4-methyl-1-piperazinyl)butyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[3-methyl-2-(4-methylpiperazino)butyl]amino]-3-nitro-benzonitrile Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-])N2CCN(CC2)C

Isomeric SMILES

CC(C)C(CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-])N2CCN(CC2)C

InChI

InChI=1S/C17H25N5O2/c1-13(2)17(21-8-6-20(3)7-9-21)12-19-15-5-4-14(11-18)10-16(15)22(23)24/h4-5,10,13,17,19H,6-9,12H2,1-3H3