2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)piperazino]nicotinonitrile Formula: C18H18N6 MolecularWeight: 318.37572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(N2)N=CC=C3)C4=C(C=CC=N4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(N2)N=CC=C3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C18H18N6/c19-12-15-4-2-6-21-18(15)24-9-7-23(8-10-24)13-16-11-14-3-1-5-20-17(14)22-16/h1-6,11H,7-10,13H2,(H,20,22)