3-[6-chloranyl-2-(1-ethylpiperidin-4-yl)pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 3-[6-chloranyl-2-(1-ethylpiperidin-4-yl)pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[6-chloro-2-(1-ethyl-4-piperidyl)pyrimidin-4-yl]oxy-benzonitrile CAS Name: 3-[[6-chloro-2-(1-ethyl-4-piperidinyl)-4-pyrimidinyl]oxy]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[6-chloro-2-(1-ethylpiperidin-4-yl)pyrimidin-4-yl]oxy-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[6-chloro-2-(1-ethyl-4-piperidyl)pyrimidin-4-yl]oxy-benzonitrile Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C2=NC(=CC(=N2)Cl)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

CCN1CCC(CC1)C2=NC(=CC(=N2)Cl)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25ClN4O2/c1-2-30-12-10-20(11-13-30)25-28-23(26)15-24(29-25)32-22-14-19(16-27)8-9-21(22)31-17-18-6-4-3-5-7-18/h3-9,14-15,20H,2,10-13,17H2,1H3