2-chloranyl-4-[4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-[4-(1-pyrimidin-2-yl-4-piperidyl)-1-piperidyl]benzonitrile CAS Name: 2-chloro-4-[4-[1-(2-pyrimidinyl)-4-piperidinyl]-1-piperidinyl]benzonitrile IUPAC Name: 2-chloro-4-[4-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-1-yl]benzonitrile Traditional Name: 2-chloro-4-[4-[1-(2-pyrimidyl)-4-piperidyl]piperidino]benzonitrile Formula: C21H24ClN5 MolecularWeight: 381.90176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)C3=NC=CC=N3)C4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)C3=NC=CC=N3)C4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C21H24ClN5/c22-20-14-19(3-2-18(20)15-23)26-10-4-16(5-11-26)17-6-12-27(13-7-17)21-24-8-1-9-25-21/h1-3,8-9,14,16-17H,4-7,10-13H2