7-azanyl-3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride

Systemtic Name: 7-azanyl-3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride Openeye Name: 7-amino-3-[(isopropylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride CAS Name: 7-amino-3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride IUPAC Name: 7-amino-3-[(propan-2-ylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride Traditional Name: 7-amino-3-[(isopropylamino)methyl]-2,4-dihydro-1,5-benzodioxepin-3-ol hydrochloride Formula: C13H21ClN2O3 MolecularWeight: 288.77044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1(COC2=C(C=C(C=C2)N)OC1)O.Cl

Isomeric SMILES

CC(C)NCC1(COC2=C(C=C(C=C2)N)OC1)O.Cl

InChI

InChI=1S/C13H20N2O3.ClH/c1-9(2)15-6-13(16)7-17-11-4-3-10(14)5-12(11)18-8-13;/h3-5,9,15-16H,6-8,14H2,1-2H3;1H