4-[5-[2-(4-butylcyclohexyl)ethyl]-1-chloranyl-2H-pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[2-(4-butylcyclohexyl)ethyl]-1-chloranyl-2H-pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-[2-(4-butylcyclohexyl)ethyl]-1-chloro-2H-pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-[2-(4-butylcyclohexyl)ethyl]-1-chloro-2H-pyrimidin-2-yl]benzonitrile IUPAC Name: 4-[5-[2-(4-butylcyclohexyl)ethyl]-1-chloro-2H-pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-[2-(4-butylcyclohexyl)ethyl]-1-chloro-2H-pyrimidin-2-yl]benzonitrile Formula: C23H30ClN3 MolecularWeight: 383.9574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)CCC2=CN(C(N=C2)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CCCCC1CCC(CC1)CCC2=CN(C(N=C2)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C23H30ClN3/c1-2-3-4-18-5-7-19(8-6-18)9-10-21-16-26-23(27(24)17-21)22-13-11-20(15-25)12-14-22/h11-14,16-19,23H,2-10H2,1H3