2-(morpholin-4-ylmethyl)-1,2-dihydroazepin-3-one ethanoate

Systemtic Name: 2-(morpholin-4-ylmethyl)-1,2-dihydroazepin-3-one ethanoate Openeye Name: 2-(morpholinomethyl)-1,2-dihydroazepin-3-one acetate CAS Name: 2-(4-morpholinylmethyl)-1,2-dihydroazepin-3-one acetate IUPAC Name: 2-(morpholin-4-ylmethyl)-1,2-dihydroazepin-3-one acetate Traditional Name: 2-(morpholinomethyl)-1,2-dihydroazepin-3-one acetate Formula: C13H19N2O4- MolecularWeight: 267.30096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1COCCN1CC2C(=O)C=CC=CN2

Isomeric SMILES

CC(=O)[O-].C1COCCN1CC2C(=O)C=CC=CN2

InChI

InChI=1S/C11H16N2O2.C2H4O2/c14-11-3-1-2-4-12-10(11)9-13-5-7-15-8-6-13;1-2(3)4/h1-4,10,12H,5-9H2;1H3,(H,3,4)/p-1