(2R)-6-[[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one

Systemtic Name: (2R)-6-[[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Openeye Name: (2R)-6-[[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one CAS Name: (2R)-6-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: (2R)-6-[[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Traditional Name: (2R)-6-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]amino]-2-methyl-4H-1,4-benzoxazin-3-one Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(C)C(=O)N3CCCCCC3

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)N[C@@H](C)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H25N3O3/c1-12(18(23)21-9-5-3-4-6-10-21)19-14-7-8-16-15(11-14)20-17(22)13(2)24-16/h7-8,11-13,19H,3-6,9-10H2,1-2H3,(H,20,22)/t12-,13+/m0/s1