(2R)-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-(1-azepanyl)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(azepan-1-yl)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-(azepan-1-yl)-2-keto-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H25N3O3/c1-19-18(23)16-12-21(14-8-4-5-9-15(14)24-16)13-17(22)20-10-6-2-3-7-11-20/h4-5,8-9,16H,2-3,6-7,10-13H2,1H3,(H,19,23)/t16-/m1/s1