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

Systemtic Name: 5-azanyl-1-[6-(4-chloranylphenoxy)-2-phenyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(4-chlorophenoxy)-2-phenyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(4-chlorophenoxy)-2-phenyl-4-pyrimidinyl]-3-ethyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(4-chlorophenoxy)-2-phenylpyrimidin-4-yl]-3-ethylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(4-chlorophenoxy)-2-phenyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Formula: C22H17ClN6O MolecularWeight: 416.86298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN6O/c1-2-18-17(13-24)21(25)29(28-18)19-12-20(30-16-10-8-15(23)9-11-16)27-22(26-19)14-6-4-3-5-7-14/h3-12H,2,25H2,1H3