2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide CAS Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(1-pyrrolidinylmethyl)phenyl]acetamide IUPAC Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)-N-[3-(pyrrolidinomethyl)phenyl]acetamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)CN3C(=O)COC4=C3C=CC(=C4)Br

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)CN3C(=O)COC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H22BrN3O3/c22-16-6-7-18-19(11-16)28-14-21(27)25(18)13-20(26)23-17-5-3-4-15(10-17)12-24-8-1-2-9-24/h3-7,10-11H,1-2,8-9,12-14H2,(H,23,26)