6-[(1S)-1-azanylethyl]-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylethyl]-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminoethyl]-4-[2-(azepan-1-yl)-2-oxo-ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminoethyl]-4-[2-(1-azepanyl)-2-oxoethyl]-2,2-dimethyl-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminoethyl]-4-[2-(azepan-1-yl)-2-oxoethyl]-2,2-dimethyl-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminoethyl]-4-[2-(azepan-1-yl)-2-keto-ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N3CCCCCC3)(C)C)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)N3CCCCCC3)(C)C)N

InChI

InChI=1S/C20H29N3O3/c1-14(21)15-8-9-17-16(12-15)23(19(25)20(2,3)26-17)13-18(24)22-10-6-4-5-7-11-22/h8-9,12,14H,4-7,10-11,13,21H2,1-3H3/t14-/m0/s1