4-(5-oxidanylidenepyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: 4-(5-oxidanylidenepyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-thienylmethyl)butanamide CAS Name: 4-(5-oxo-6-pyrido[2,3-b][1,5]benzoxazepinyl)-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 4-(5-ketopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-thenyl)butyramide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C3=C(O2)N=CC=C3)CCCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C3=C(O2)N=CC=C3)CCCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H19N3O3S/c25-19(23-14-15-6-5-13-28-15)10-4-12-24-17-8-1-2-9-18(17)27-20-16(21(24)26)7-3-11-22-20/h1-3,5-9,11,13H,4,10,12,14H2,(H,23,25)