3-[(propan-2-ylamino)methyl]-4-pyridin-2-yl-2,4-dihydro-1,5-benzodioxepin-3-ol

Systemtic Name: 3-[(propan-2-ylamino)methyl]-4-pyridin-2-yl-2,4-dihydro-1,5-benzodioxepin-3-ol Openeye Name: 3-[(isopropylamino)methyl]-4-(2-pyridyl)-2,4-dihydro-1,5-benzodioxepin-3-ol CAS Name: 3-[(propan-2-ylamino)methyl]-4-(2-pyridinyl)-2,4-dihydro-1,5-benzodioxepin-3-ol IUPAC Name: 3-[(propan-2-ylamino)methyl]-4-pyridin-2-yl-2,4-dihydro-1,5-benzodioxepin-3-ol Traditional Name: 3-[(isopropylamino)methyl]-4-(2-pyridyl)-2,4-dihydro-1,5-benzodioxepin-3-ol Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1(COC2=CC=CC=C2OC1C3=CC=CC=N3)O

Isomeric SMILES

CC(C)NCC1(COC2=CC=CC=C2OC1C3=CC=CC=N3)O

InChI

InChI=1S/C18H22N2O3/c1-13(2)20-11-18(21)12-22-15-8-3-4-9-16(15)23-17(18)14-7-5-6-10-19-14/h3-10,13,17,20-21H,11-12H2,1-2H3