(2R)-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-methyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde

Systemtic Name: (2R)-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-methyl-3-oxidanylidene-1,4-benzoxazine-6-carbaldehyde Openeye Name: (2R)-4-[2-(azepan-1-yl)-2-oxo-ethyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde CAS Name: (2R)-4-[2-(1-azepanyl)-2-oxoethyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carboxaldehyde IUPAC Name: (2R)-4-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carbaldehyde Traditional Name: (2R)-4-[2-(azepan-1-yl)-2-keto-ethyl]-3-keto-2-methyl-1,4-benzoxazine-6-carbaldehyde Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC(=O)N3CCCCCC3

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N2O4/c1-13-18(23)20(11-17(22)19-8-4-2-3-5-9-19)15-10-14(12-21)6-7-16(15)24-13/h6-7,10,12-13H,2-5,8-9,11H2,1H3/t13-/m1/s1