3-azanyl-N-[2-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-azanyl-N-[2-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-amino-N-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxo-ethyl]propanamide CAS Name: 3-amino-N-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxoethyl]propanamide IUPAC Name: 3-amino-N-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-oxoethyl]propanamide Traditional Name: 3-amino-N-[2-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-2-keto-ethyl]propionamide Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)CNC(=O)CCN)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)CNC(=O)CCN)C=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O3/c19-13-5-6-16-14(9-13)22(18(24)10-21-17(23)7-8-20)11-12-3-1-2-4-15(12)25-16/h1-6,9H,7-8,10-11,20H2,(H,21,23)