3-[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]-2-ethoxy-benzenecarbonitrile

Systemtic Name: 3-[2-[(4-chlorophenyl)-pyridin-2-yl-methyl]piperazin-1-yl]-2-ethoxy-benzenecarbonitrile Openeye Name: 3-[2-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazin-1-yl]-2-ethoxy-benzonitrile CAS Name: 3-[2-[(4-chlorophenyl)-(2-pyridinyl)methyl]-1-piperazinyl]-2-ethoxybenzonitrile IUPAC Name: 3-[2-[(4-chlorophenyl)-pyridin-2-ylmethyl]piperazin-1-yl]-2-ethoxybenzonitrile Traditional Name: 3-[2-[(4-chlorophenyl)-(2-pyridyl)methyl]piperazino]-2-ethoxy-benzonitrile Formula: C25H25ClN4O MolecularWeight: 432.9452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1N2CCNCC2C(C3=CC=C(C=C3)Cl)C4=CC=CC=N4)C#N

Isomeric SMILES

CCOC1=C(C=CC=C1N2CCNCC2C(C3=CC=C(C=C3)Cl)C4=CC=CC=N4)C#N

InChI

InChI=1S/C25H25ClN4O/c1-2-31-25-19(16-27)6-5-8-22(25)30-15-14-28-17-23(30)24(21-7-3-4-13-29-21)18-9-11-20(26)12-10-18/h3-13,23-24,28H,2,14-15,17H2,1H3