2-[[3-[(2-bromanyl-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[[3-[(2-bromanyl-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[[3-[(2-bromo-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[[3-[(2-bromo-5-methoxyphenyl)methyl]-1-pyrrolidinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[[3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[[3-(2-bromo-5-methoxy-benzyl)pyrrolidino]methyl]-4H-1,4-benzoxazin-3-one Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23BrN2O3/c1-26-16-6-7-17(22)15(11-16)10-14-8-9-24(12-14)13-20-21(25)23-18-4-2-3-5-19(18)27-20/h2-7,11,14,20H,8-10,12-13H2,1H3,(H,23,25)