5-azanyl-3-ethyl-1-(6-phenoxy-2-phenyl-pyrimidin-4-yl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-ethyl-1-(6-phenoxy-2-phenyl-pyrimidin-4-yl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-ethyl-1-(6-phenoxy-2-phenyl-pyrimidin-4-yl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-ethyl-1-(6-phenoxy-2-phenyl-4-pyrimidinyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-ethyl-1-(6-phenoxy-2-phenylpyrimidin-4-yl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-ethyl-1-(6-phenoxy-2-phenyl-pyrimidin-4-yl)pyrazole-4-carbonitrile Formula: C22H18N6O MolecularWeight: 382.41792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H18N6O/c1-2-18-17(14-23)21(24)28(27-18)19-13-20(29-16-11-7-4-8-12-16)26-22(25-19)15-9-5-3-6-10-15/h3-13H,2,24H2,1H3