3-(cyanomethyl)-N-phenyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidine-1-carboxamide

Systemtic Name: 3-(cyanomethyl)-N-phenyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidine-1-carboxamide Openeye Name: 3-(cyanomethyl)-N-phenyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidine-1-carboxamide CAS Name: 3-(cyanomethyl)-N-phenyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]-1-azetidinecarboxamide IUPAC Name: 3-(cyanomethyl)-N-phenyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidine-1-carboxamide Traditional Name: 3-(cyanomethyl)-N-phenyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidine-1-carboxamide Formula: C21H18N8O MolecularWeight: 398.42062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)NC2=CC=CC=C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4

Isomeric SMILES

C1C(CN1C(=O)NC2=CC=CC=C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4

InChI

InChI=1S/C21H18N8O/c22-8-7-21(12-28(13-21)20(30)27-16-4-2-1-3-5-16)29-11-15(10-26-29)18-17-6-9-23-19(17)25-14-24-18/h1-6,9-11,14H,7,12-13H2,(H,27,30)(H,23,24,25)