3-methyl-1-phenyl-5-[(4-propanoylphenoxy)methyl]pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenyl-5-[(4-propanoylphenoxy)methyl]pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-[(4-propanoylphenoxy)methyl]pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[4-(1-oxopropyl)phenoxy]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-[(4-propanoylphenoxy)methyl]pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[(4-propionylphenoxy)methyl]pyrazole-4-carbonitrile Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C21H19N3O2/c1-3-21(25)16-9-11-18(12-10-16)26-14-20-19(13-22)15(2)23-24(20)17-7-5-4-6-8-17/h4-12H,3,14H2,1-2H3