3-methyl-1-phenyl-5-(2-phenylethynyl)pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenyl-5-(2-phenylethynyl)pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-(2-phenylethynyl)pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-(2-phenylethynyl)-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-(2-phenylethynyl)pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-(2-phenylethynyl)pyrazole-4-carbonitrile Formula: C19H13N3 MolecularWeight: 283.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)C#CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)C#CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H13N3/c1-15-18(14-20)19(13-12-16-8-4-2-5-9-16)22(21-15)17-10-6-3-7-11-17/h2-11H,1H3