3-[6-(1-ethylpiperidin-4-yl)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 3-[6-(1-ethylpiperidin-4-yl)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyrimidin-4-yl]oxy-4-phenylmethoxy-benzenecarbonitrile Openeye Name: 4-benzyloxy-3-[6-(1-ethyl-4-piperidyl)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyrimidin-4-yl]oxy-benzonitrile CAS Name: 3-[[6-(1-ethyl-4-piperidinyl)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyrimidinyl]oxy]-4-phenylmethoxybenzonitrile IUPAC Name: 3-[6-(1-ethylpiperidin-4-yl)-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyrimidin-4-yl]oxy-4-phenylmethoxybenzonitrile Traditional Name: 4-benzoxy-3-[6-(1-ethyl-4-piperidyl)-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]pyrimidin-4-yl]oxy-benzonitrile Formula: C35H36N6O3 MolecularWeight: 588.69874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C2=CC(=NC(=N2)OC3=CC=CC(=C3)C4=NCCN4C)OC5=C(C=CC(=C5)C#N)OCC6=CC=CC=C6

Isomeric SMILES

CCN1CCC(CC1)C2=CC(=NC(=N2)OC3=CC=CC(=C3)C4=NCCN4C)OC5=C(C=CC(=C5)C#N)OCC6=CC=CC=C6

InChI

InChI=1S/C35H36N6O3/c1-3-41-17-14-27(15-18-41)30-22-33(39-35(38-30)43-29-11-7-10-28(21-29)34-37-16-19-40(34)2)44-32-20-26(23-36)12-13-31(32)42-24-25-8-5-4-6-9-25/h4-13,20-22,27H,3,14-19,24H2,1-2H3