2-[2-oxidanylidene-1-[6-[4-(phenylmethyl)piperazin-1-yl]pyridin-3-yl]-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanylidene-1-[6-[4-(phenylmethyl)piperazin-1-yl]pyridin-3-yl]-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-[6-(4-benzylpiperazin-1-yl)-3-pyridyl]-2-oxo-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[2-oxo-1-[6-[4-(phenylmethyl)-1-piperazinyl]-3-pyridinyl]-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-[6-(4-benzylpiperazin-1-yl)pyridin-3-yl]-2-oxo-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[1-[6-(4-benzylpiperazino)-3-pyridyl]-2-keto-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C33H28N6O MolecularWeight: 524.61502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C=C3)N4C=C(C=C(C4=O)C5=CC=CC=C5C#N)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=C(C=C3)N4C=C(C=C(C4=O)C5=CC=CC=C5C#N)C6=CC=CC=N6

InChI

InChI=1S/C33H28N6O/c34-21-26-10-4-5-11-29(26)30-20-27(31-12-6-7-15-35-31)24-39(33(30)40)28-13-14-32(36-22-28)38-18-16-37(17-19-38)23-25-8-2-1-3-9-25/h1-15,20,22,24H,16-19,23H2