5-azanyl-3-[4-[(2-phenyl-1,2,3-triazol-4-yl)methyl]piperazin-1-yl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[4-[(2-phenyl-1,2,3-triazol-4-yl)methyl]piperazin-1-yl]-1H-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]-1H-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[4-[(2-phenyl-4-triazolyl)methyl]-1-piperazinyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 5-amino-3-[4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]-1H-pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[4-[(2-phenyltriazol-4-yl)methyl]piperazino]-1H-pyrazole-4-carbonitrile Formula: C17H19N9 MolecularWeight: 349.39306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NN(N=C2)C3=CC=CC=C3)C4=NNC(=C4C#N)N

Isomeric SMILES

C1CN(CCN1CC2=NN(N=C2)C3=CC=CC=C3)C4=NNC(=C4C#N)N

InChI

InChI=1S/C17H19N9/c18-10-15-16(19)21-22-17(15)25-8-6-24(7-9-25)12-13-11-20-26(23-13)14-4-2-1-3-5-14/h1-5,11H,6-9,12H2,(H3,19,21,22)