4-[(5-azanyl-4-methyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(5-azanyl-4-methyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(5-amino-4-methyl-3-oxo-1H-pyrazol-2-yl)methyl]benzonitrile CAS Name: 4-[(5-amino-4-methyl-3-oxo-1H-pyrazol-2-yl)methyl]benzonitrile IUPAC Name: 4-[(5-amino-4-methyl-3-oxo-1H-pyrazol-2-yl)methyl]benzonitrile Traditional Name: 4-[(3-amino-5-keto-4-methyl-3-pyrazolin-1-yl)methyl]benzonitrile Formula: C12H12N4O MolecularWeight: 228.24988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC=C(C=C2)C#N)N

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C12H12N4O/c1-8-11(14)15-16(12(8)17)7-10-4-2-9(6-13)3-5-10/h2-5,15H,7,14H2,1H3