4-azanyl-1-(3-oxidanylazetidin-1-yl)carbonyl-1,2,4,5-tetrahydro-2-benzazepin-3-one

Systemtic Name: 4-azanyl-1-(3-oxidanylazetidin-1-yl)carbonyl-1,2,4,5-tetrahydro-2-benzazepin-3-one Openeye Name: 4-amino-1-(3-hydroxyazetidine-1-carbonyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one CAS Name: 4-amino-1-[(3-hydroxy-1-azetidinyl)-oxomethyl]-1,2,4,5-tetrahydro-2-benzazepin-3-one IUPAC Name: 4-amino-1-(3-hydroxyazetidine-1-carbonyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one Traditional Name: 4-amino-1-(3-hydroxyazetidine-1-carbonyl)-1,2,4,5-tetrahydro-2-benzazepin-3-one Formula: C14H17N3O3 MolecularWeight: 275.30308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(C2=CC=CC=C21)C(=O)N3CC(C3)O)N

Isomeric SMILES

C1C(C(=O)NC(C2=CC=CC=C21)C(=O)N3CC(C3)O)N

InChI

InChI=1S/C14H17N3O3/c15-11-5-8-3-1-2-4-10(8)12(16-13(11)19)14(20)17-6-9(18)7-17/h1-4,9,11-12,18H,5-7,15H2,(H,16,19)