5-nitro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzenecarbonitrile Openeye Name: 5-nitro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzonitrile CAS Name: 5-nitro-2-[[4-(1-pyrazolylmethyl)phenyl]methylamino]benzonitrile IUPAC Name: 5-nitro-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]benzonitrile Traditional Name: 5-nitro-2-[[4-(pyrazol-1-ylmethyl)benzyl]amino]benzonitrile Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H15N5O2/c19-11-16-10-17(23(24)25)6-7-18(16)20-12-14-2-4-15(5-3-14)13-22-9-1-8-21-22/h1-10,20H,12-13H2