3-[3-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[3-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenecarbonitrile Openeye Name: 3-[3-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile CAS Name: 3-[3-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile IUPAC Name: 3-[3-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile Traditional Name: 3-[3-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile Formula: C21H16N4 MolecularWeight: 324.37854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CN=C3C(=C2)C(=CN3)C4=CC=C(C=C4)CN)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CN=C3C(=C2)C(=CN3)C4=CC=C(C=C4)CN)C#N

InChI

InChI=1S/C21H16N4/c22-10-14-4-6-16(7-5-14)20-13-25-21-19(20)9-18(12-24-21)17-3-1-2-15(8-17)11-23/h1-9,12-13H,10,22H2,(H,24,25)