2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[3-ethoxy-4-(4-pyridylmethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-oxomethyl]-1-piperazinyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[3-ethoxy-4-(4-pyridylmethoxy)benzoyl]piperazino]-N-(4-fluorophenyl)acetamide Formula: C27H29FN4O4 MolecularWeight: 492.541963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)OCC4=CC=NC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F)OCC4=CC=NC=C4

InChI

InChI=1S/C27H29FN4O4/c1-2-35-25-17-21(3-8-24(25)36-19-20-9-11-29-12-10-20)27(34)32-15-13-31(14-16-32)18-26(33)30-23-6-4-22(28)5-7-23/h3-12,17H,2,13-16,18-19H2,1H3,(H,30,33)