1-(4-azanyl-3-methyl-phenyl)azepane-4,5-diol

Systemtic Name: 1-(4-azanyl-3-methyl-phenyl)azepane-4,5-diol Openeye Name: 1-(4-amino-3-methyl-phenyl)azepane-4,5-diol CAS Name: 1-(4-amino-3-methylphenyl)azepane-4,5-diol IUPAC Name: 1-(4-amino-3-methylphenyl)azepane-4,5-diol Traditional Name: 1-(4-amino-3-methyl-phenyl)azepane-4,5-diol Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC(C(CC2)O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC(C(CC2)O)O)N

InChI

InChI=1S/C13H20N2O2/c1-9-8-10(2-3-11(9)14)15-6-4-12(16)13(17)5-7-15/h2-3,8,12-13,16-17H,4-7,14H2,1H3