4-(4-methyl-2-phenyl-piperazin-1-yl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(4-methyl-2-phenyl-piperazin-1-yl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(4-methyl-2-phenyl-piperazin-1-yl)-3-nitro-benzonitrile CAS Name: 4-(4-methyl-2-phenyl-1-piperazinyl)-3-nitrobenzonitrile IUPAC Name: 4-(4-methyl-2-phenylpiperazin-1-yl)-3-nitrobenzonitrile Traditional Name: 4-(4-methyl-2-phenyl-piperazino)-3-nitro-benzonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2/c1-20-9-10-21(18(13-20)15-5-3-2-4-6-15)16-8-7-14(12-19)11-17(16)22(23)24/h2-8,11,18H,9-10,13H2,1H3