(2S)-2-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-2-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-4H-1,4-benzoxazin-3-one Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O4/c1-15(26)16-6-8-17(9-7-16)24-10-12-25(13-11-24)21(27)14-20-22(28)23-18-4-2-3-5-19(18)29-20/h2-9,20H,10-14H2,1H3,(H,23,28)/t20-/m0/s1