4-(3-methyl-5-oxidanylidene-2-phenyl-pyrazolidin-1-yl)butanenitrile

Systemtic Name: 4-(3-methyl-5-oxidanylidene-2-phenyl-pyrazolidin-1-yl)butanenitrile Openeye Name: 4-(3-methyl-5-oxo-2-phenyl-pyrazolidin-1-yl)butanenitrile CAS Name: 4-(3-methyl-5-oxo-2-phenyl-1-pyrazolidinyl)butanenitrile IUPAC Name: 4-(3-methyl-5-oxo-2-phenylpyrazolidin-1-yl)butanenitrile Traditional Name: 4-(5-keto-3-methyl-2-phenyl-pyrazolidin-1-yl)butyronitrile Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(N1C2=CC=CC=C2)CCCC#N

Isomeric SMILES

CC1CC(=O)N(N1C2=CC=CC=C2)CCCC#N

InChI

InChI=1S/C14H17N3O/c1-12-11-14(18)16(10-6-5-9-15)17(12)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,10-11H2,1H3