5-nitro-2-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]benzenecarbonitrile Openeye Name: 2-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylamino]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]benzonitrile IUPAC Name: 2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylamino]-5-nitro-benzonitrile Formula: C24H19N5O2 MolecularWeight: 409.43996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C24H19N5O2/c25-14-20-13-22(29(30)31)11-12-23(20)26-15-21-17-28(16-18-7-3-1-4-8-18)27-24(21)19-9-5-2-6-10-19/h1-13,17,26H,15-16H2