5-(4-tert-butylphenyl)-1-pyrimidin-2-yl-pyrazole-3-carbonitrile

Systemtic Name: 5-(4-tert-butylphenyl)-1-pyrimidin-2-yl-pyrazole-3-carbonitrile Openeye Name: 5-(4-tert-butylphenyl)-1-pyrimidin-2-yl-pyrazole-3-carbonitrile CAS Name: 5-(4-tert-butylphenyl)-1-(2-pyrimidinyl)-3-pyrazolecarbonitrile IUPAC Name: 5-(4-tert-butylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile Traditional Name: 5-(4-tert-butylphenyl)-1-(2-pyrimidyl)pyrazole-3-carbonitrile Formula: C18H17N5 MolecularWeight: 303.36108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NN2C3=NC=CC=N3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=NN2C3=NC=CC=N3)C#N

InChI

InChI=1S/C18H17N5/c1-18(2,3)14-7-5-13(6-8-14)16-11-15(12-19)22-23(16)17-20-9-4-10-21-17/h4-11H,1-3H3