3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazole-4-carbonitrile Openeye Name: 5-isopropyl-3-oxo-2-phenyl-1H-pyrazole-4-carbonitrile CAS Name: 3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazole-4-carbonitrile IUPAC Name: 3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazole-4-carbonitrile Traditional Name: 3-isopropyl-5-keto-1-phenyl-3-pyrazoline-4-carbonitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C13H13N3O/c1-9(2)12-11(8-14)13(17)16(15-12)10-6-4-3-5-7-10/h3-7,9,15H,1-2H3