2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide

Systemtic Name: 2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide Openeye Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]acetamide CAS Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]acetamide Traditional Name: 2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)-N-[(6-pyrrolidino-3-pyridyl)methyl]acetamide Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4O3/c21-15-4-5-17-16(9-15)25(20(27)13-28-17)12-19(26)23-11-14-3-6-18(22-10-14)24-7-1-2-8-24/h3-6,9-10H,1-2,7-8,11-13H2,(H,23,26)