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

Systemtic Name: 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]isoquinoline Openeye Name: 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]isoquinoline CAS Name: 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-piperazinyl]isoquinoline IUPAC Name: 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]isoquinoline Traditional Name: 3-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazino]isoquinoline Formula: C21H21N5 MolecularWeight: 343.42494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C21H21N5/c1-2-5-17-13-23-20(12-16(17)4-1)26-10-8-25(9-11-26)15-18-14-24-21-19(18)6-3-7-22-21/h1-7,12-14H,8-11,15H2,(H,22,24)