3-fluoranyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 3-fluoranyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyridin-3-yl]benzamide Openeye Name: 3-fluoro-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridyl]benzamide CAS Name: 3-fluoro-N-[6-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]-3-pyridinyl]benzamide IUPAC Name: 3-fluoro-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]pyridin-3-yl]benzamide Traditional Name: 3-fluoro-N-[6-[4-(3-phenoxybenzyl)piperazino]-3-pyridyl]benzamide Formula: C29H27FN4O2 MolecularWeight: 482.548683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC=C(C=C4)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC=C(C=C4)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C29H27FN4O2/c30-24-8-5-7-23(19-24)29(35)32-25-12-13-28(31-20-25)34-16-14-33(15-17-34)21-22-6-4-11-27(18-22)36-26-9-2-1-3-10-26/h1-13,18-20H,14-17,21H2,(H,32,35)