6-[4-[4-(phenylmethyl)isoquinolin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[4-(phenylmethyl)isoquinolin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(4-benzyl-1-isoquinolyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[4-(phenylmethyl)-1-isoquinolinyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(4-benzylisoquinolin-1-yl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(4-benzyl-1-isoquinolyl)piperazino]nicotinonitrile Formula: C26H23N5 MolecularWeight: 405.49432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NC=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NC=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H23N5/c27-17-21-10-11-25(28-18-21)30-12-14-31(15-13-30)26-24-9-5-4-8-23(24)22(19-29-26)16-20-6-2-1-3-7-20/h1-11,18-19H,12-16H2