(2R)-N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-fluorobenzyl)-phenethyl-amino]-1-nicotinoyl-pipecolinamide Formula: C29H34FN5O2 MolecularWeight: 503.610963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)F)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN([C@H](CC1N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)F)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H34FN5O2/c30-25-10-8-23(9-11-25)21-34(17-12-22-5-2-1-3-6-22)26-13-18-35(27(19-26)28(36)33-16-14-31)29(37)24-7-4-15-32-20-24/h1-11,15,20,26-27H,12-14,16-19,21,31H2,(H,33,36)/t26?,27-/m1/s1