2-[2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile

Systemtic Name: 2-[2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile Openeye Name: 2-[2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile CAS Name: 2-[2-[4-[(2,4-dichlorophenyl)methyl]-1-piperazinyl]-4-pyrimidinyl]-2-(2-pyridinyl)acetonitrile IUPAC Name: 2-[2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile Traditional Name: 2-[2-[4-(2,4-dichlorobenzyl)piperazino]pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile Formula: C22H20Cl2N6 MolecularWeight: 439.3404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)C3=NC=CC(=N3)C(C#N)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)C3=NC=CC(=N3)C(C#N)C4=CC=CC=N4

InChI

InChI=1S/C22H20Cl2N6/c23-17-5-4-16(19(24)13-17)15-29-9-11-30(12-10-29)22-27-8-6-21(28-22)18(14-25)20-3-1-2-7-26-20/h1-8,13,18H,9-12,15H2