3-[3-azanyl-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzenecarbonitrile

Systemtic Name: 3-[3-azanyl-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzenecarbonitrile Openeye Name: 3-[3-amino-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzonitrile CAS Name: 3-[3-amino-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4-pyrazolyl]benzonitrile IUPAC Name: 3-[3-amino-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzonitrile Traditional Name: 3-[3-amino-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]benzonitrile Formula: C17H12N6 MolecularWeight: 300.31738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CN(N=C2N)C3=C4C=CNC4=NC=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CN(N=C2N)C3=C4C=CNC4=NC=C3)C#N

InChI

InChI=1S/C17H12N6/c18-9-11-2-1-3-12(8-11)14-10-23(22-16(14)19)15-5-7-21-17-13(15)4-6-20-17/h1-8,10H,(H2,19,22)(H,20,21)