3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(2-pyridin-4-ylethynyl)cyclohexan-1-one

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(2-pyridin-4-ylethynyl)cyclohexan-1-one Openeye Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-(4-pyridyl)ethynyl]cyclohexanone CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-pyridin-4-ylethynyl)-1-cyclohexanone IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-pyridin-4-ylethynyl)cyclohexan-1-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[2-(4-pyridyl)ethynyl]cyclohexanone Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC(=O)C2)C#CC3=CC=NC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC(=O)C2)C#CC3=CC=NC=C3)OC4CCCC4

InChI

InChI=1S/C25H27NO3/c1-28-23-9-8-20(17-24(23)29-22-6-2-3-7-22)25(13-4-5-21(27)18-25)14-10-19-11-15-26-16-12-19/h8-9,11-12,15-17,22H,2-7,13,18H2,1H3