(3R,4S)-3-azanyl-5-(cyanomethyl)-2-phenyl-3,4-dihydropyrazole-4-carbonitrile

Systemtic Name: (3R,4S)-3-azanyl-5-(cyanomethyl)-2-phenyl-3,4-dihydropyrazole-4-carbonitrile Openeye Name: (3R,4S)-3-amino-5-(cyanomethyl)-2-phenyl-3,4-dihydropyrazole-4-carbonitrile CAS Name: (3R,4S)-3-amino-5-(cyanomethyl)-2-phenyl-3,4-dihydropyrazole-4-carbonitrile IUPAC Name: (3R,4S)-3-amino-5-(cyanomethyl)-2-phenyl-3,4-dihydropyrazole-4-carbonitrile Traditional Name: (4S,5R)-5-amino-3-(cyanomethyl)-1-phenyl-2-pyrazoline-4-carbonitrile Formula: C12H11N5 MolecularWeight: 225.24924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(C(C(=N2)CC#N)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2[C@H]([C@@H](C(=N2)CC#N)C#N)N

InChI

InChI=1S/C12H11N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5,10,12H,6,15H2/t10-,12-/m1/s1