4-[[4-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(7-phenyl-3-pyrazolo[1,5-a]pyrimidinyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazino]methyl]benzonitrile Formula: C25H22N6O MolecularWeight: 422.48178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C4N=CC=C(N4N=C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C4N=CC=C(N4N=C3)C5=CC=CC=C5

InChI

InChI=1S/C25H22N6O/c26-16-19-6-8-20(9-7-19)18-29-12-14-30(15-13-29)25(32)22-17-28-31-23(10-11-27-24(22)31)21-4-2-1-3-5-21/h1-11,17H,12-15,18H2