2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)ethanamide

Systemtic Name: 2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)ethanamide Openeye Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide Traditional Name: 2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)-N-[2-pyrrolidino-2-(2-thienyl)ethyl]acetamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)CN2C(=O)COC3=C2C=CC(=C3)Br)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CN2C(=O)COC3=C2C=CC(=C3)Br)C4=CC=CS4

InChI

InChI=1S/C20H22BrN3O3S/c21-14-5-6-15-17(10-14)27-13-20(26)24(15)12-19(25)22-11-16(18-4-3-9-28-18)23-7-1-2-8-23/h3-6,9-10,16H,1-2,7-8,11-13H2,(H,22,25)