3-[1-(1H-imidazol-5-yl)ethyl]-2-oxidanyl-benzamide hydrate

Systemtic Name: 3-[1-(1H-imidazol-5-yl)ethyl]-2-oxidanyl-benzamide hydrate Openeye Name: 2-hydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzamide hydrate CAS Name: 2-hydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzamide hydrate IUPAC Name: 2-hydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzamide hydrate Traditional Name: 2-hydroxy-3-[1-(1H-imidazol-5-yl)ethyl]benzamide hydrate Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1O)C(=O)N)C2=CN=CN2.O

Isomeric SMILES

CC(C1=CC=CC(=C1O)C(=O)N)C2=CN=CN2.O

InChI

InChI=1S/C12H13N3O2.H2O/c1-7(10-5-14-6-15-10)8-3-2-4-9(11(8)16)12(13)17;/h2-7,16H,1H3,(H2,13,17)(H,14,15);1H2