3-azanyl-1-phenethyl-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-1-phenethyl-pyrazole-4-carbonitrile Openeye Name: 3-amino-1-phenethyl-pyrazole-4-carbonitrile CAS Name: 3-amino-1-phenethyl-4-pyrazolecarbonitrile IUPAC Name: 3-amino-1-phenethylpyrazole-4-carbonitrile Traditional Name: 3-amino-1-phenethyl-pyrazole-4-carbonitrile Formula: C12H12N4 MolecularWeight: 212.25048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C(=N2)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C(=N2)N)C#N

InChI

InChI=1S/C12H12N4/c13-8-11-9-16(15-12(11)14)7-6-10-4-2-1-3-5-10/h1-5,9H,6-7H2,(H2,14,15)