3-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(3-pyridylmethyl)piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-(3-pyridinylmethyl)-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(3-pyridylmethyl)piperazino]-8-quinolyl]benzonitrile Formula: C26H23N5 MolecularWeight: 405.49432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

InChI

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