3-methyl-1-phenyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-4-carbonitrile Formula: C21H17N3 MolecularWeight: 311.37978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3/c1-17-20(16-22)21(24(23-17)19-13-6-3-7-14-19)15-9-8-12-18-10-4-2-5-11-18/h2-15H,1H3/b12-8+,15-9+