N2-[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]-1,3-benzoxazole-2,7-diamine

Systemtic Name: N2-[1-[(3,5-diethoxy-4-fluoranyl-phenyl)methyl]piperidin-4-yl]-1,3-benzoxazole-2,7-diamine Openeye Name: N2-[1-[(3,5-diethoxy-4-fluoro-phenyl)methyl]-4-piperidyl]-1,3-benzoxazole-2,7-diamine CAS Name: N2-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]-4-piperidinyl]-1,3-benzoxazole-2,7-diamine IUPAC Name: 2-N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-1,3-benzoxazole-2,7-diamine Traditional Name: (7-amino-1,3-benzoxazol-2-yl)-[1-(3,5-diethoxy-4-fluoro-benzyl)-4-piperidyl]amine Formula: C23H29FN4O3 MolecularWeight: 428.499763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)NC3=NC4=C(O3)C(=CC=C4)N

Isomeric SMILES

CCOC1=CC(=CC(=C1F)OCC)CN2CCC(CC2)NC3=NC4=C(O3)C(=CC=C4)N

InChI

InChI=1S/C23H29FN4O3/c1-3-29-19-12-15(13-20(21(19)24)30-4-2)14-28-10-8-16(9-11-28)26-23-27-18-7-5-6-17(25)22(18)31-23/h5-7,12-13,16H,3-4,8-11,14,25H2,1-2H3,(H,26,27)