[4-[5-(aminomethyl)-2-fluoranyl-phenyl]piperidin-1-yl]-(5-phenethylpyridin-3-yl)methanone

Systemtic Name: [4-[5-(aminomethyl)-2-fluoranyl-phenyl]piperidin-1-yl]-(5-phenethylpyridin-3-yl)methanone Openeye Name: [4-[5-(aminomethyl)-2-fluoro-phenyl]-1-piperidyl]-(5-phenethyl-3-pyridyl)methanone CAS Name: [4-[5-(aminomethyl)-2-fluorophenyl]-1-piperidinyl]-(5-phenethyl-3-pyridinyl)methanone IUPAC Name: [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-(5-phenethylpyridin-3-yl)methanone Traditional Name: [4-[5-(aminomethyl)-2-fluoro-phenyl]piperidino]-(5-phenethyl-3-pyridyl)methanone Formula: C26H28FN3O MolecularWeight: 417.518423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C=CC(=C2)CN)F)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=C(C=CC(=C2)CN)F)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H28FN3O/c27-25-9-8-20(16-28)15-24(25)22-10-12-30(13-11-22)26(31)23-14-21(17-29-18-23)7-6-19-4-2-1-3-5-19/h1-5,8-9,14-15,17-18,22H,6-7,10-13,16,28H2