2-[4-[(5-ethyl-3-nitro-pyrazolo[1,5-a]pyrimidin-7-yl)-methyl-amino]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(5-ethyl-3-nitro-pyrazolo[1,5-a]pyrimidin-7-yl)-methyl-amino]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-ethyl-3-nitro-pyrazolo[1,5-a]pyrimidin-7-yl)-methyl-amino]phenyl]benzonitrile CAS Name: 2-[4-[(5-ethyl-3-nitro-7-pyrazolo[1,5-a]pyrimidinyl)-methylamino]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-ethyl-3-nitropyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]phenyl]benzonitrile Traditional Name: 2-[4-[(5-ethyl-3-nitro-pyrazolo[1,5-a]pyrimidin-7-yl)-methyl-amino]phenyl]benzonitrile Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C(=C1)N(C)C3=CC=C(C=C3)C4=CC=CC=C4C#N)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=C(C=NN2C(=C1)N(C)C3=CC=C(C=C3)C4=CC=CC=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O2/c1-3-17-12-21(27-22(25-17)20(14-24-27)28(29)30)26(2)18-10-8-15(9-11-18)19-7-5-4-6-16(19)13-23/h4-12,14H,3H2,1-2H3