N5-[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]-3-methyl-pyridine-2,5-diamine

Systemtic Name: N5-[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]-3-methyl-pyridine-2,5-diamine Openeye Name: N5-[1-[(3,5-diethoxy-4-fluoro-phenyl)methyl]-4-piperidyl]-3-methyl-pyridine-2,5-diamine CAS Name: N5-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]-4-piperidinyl]-3-methylpyridine-2,5-diamine IUPAC Name: 5-N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-3-methylpyridine-2,5-diamine Traditional Name: (6-amino-5-methyl-3-pyridyl)-[1-(3,5-diethoxy-4-fluoro-benzyl)-4-piperidyl]amine Formula: C22H31FN4O2 MolecularWeight: 402.505543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)NC3=CN=C(C(=C3)C)N

Isomeric SMILES

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)NC3=CN=C(C(=C3)C)N

InChI

InChI=1S/C22H31FN4O2/c1-4-28-19-11-16(12-20(21(19)23)29-5-2)14-27-8-6-17(7-9-27)26-18-10-15(3)22(24)25-13-18/h10-13,17,26H,4-9,14H2,1-3H3,(H2,24,25)