3-(cyanomethyl)-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile

Systemtic Name: 3-(cyanomethyl)-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile Openeye Name: 3-(cyanomethyl)-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile CAS Name: 3-(cyanomethyl)-1-phenyl-5-(1-pyrrolyl)-4-pyrazolecarbonitrile IUPAC Name: 3-(cyanomethyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile Traditional Name: 3-(cyanomethyl)-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonitrile Formula: C16H11N5 MolecularWeight: 273.29204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N3C=CC=C3

InChI

InChI=1S/C16H11N5/c17-9-8-15-14(12-18)16(20-10-4-5-11-20)21(19-15)13-6-2-1-3-7-13/h1-7,10-11H,8H2