2-[2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethoxy]benzamide

Systemtic Name: 2-[2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethoxy]benzamide Openeye Name: 2-[2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethoxy]benzamide CAS Name: 2-[2-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide IUPAC Name: 2-[2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethoxy]benzamide Traditional Name: 2-[2-keto-2-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethoxy]benzamide Formula: C19H25N5O3 MolecularWeight: 371.4335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C19H25N5O3/c1-22-10-7-21-17(22)13-23-8-4-9-24(12-11-23)18(25)14-27-16-6-3-2-5-15(16)19(20)26/h2-3,5-7,10H,4,8-9,11-14H2,1H3,(H2,20,26)