1-[2,3-bis(azanyl)-4-methyl-phenoxy]-3-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol

Systemtic Name: 1-[2,3-bis(azanyl)-4-methyl-phenoxy]-3-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol Openeye Name: 1-(2,3-diamino-4-methyl-phenoxy)-3-[4-(2-pyridyloxymethyl)-1-piperidyl]propan-2-ol CAS Name: 1-(2,3-diamino-4-methylphenoxy)-3-[4-(2-pyridinyloxymethyl)-1-piperidinyl]-2-propanol IUPAC Name: 1-(2,3-diamino-4-methylphenoxy)-3-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol Traditional Name: 1-(2,3-diamino-4-methyl-phenoxy)-3-[4-(2-pyridyloxymethyl)piperidino]propan-2-ol Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)OCC(CN2CCC(CC2)COC3=CC=CC=N3)O)N)N

Isomeric SMILES

CC1=C(C(=C(C=C1)OCC(CN2CCC(CC2)COC3=CC=CC=N3)O)N)N

InChI

InChI=1S/C21H30N4O3/c1-15-5-6-18(21(23)20(15)22)27-14-17(26)12-25-10-7-16(8-11-25)13-28-19-4-2-3-9-24-19/h2-6,9,16-17,26H,7-8,10-14,22-23H2,1H3