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

Systemtic Name: (2S)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[2-keto-2-[4-(3-methoxyphenyl)piperazino]ethyl]-4H-1,4-benzoxazin-3-one Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O4/c1-27-16-6-4-5-15(13-16)23-9-11-24(12-10-23)20(25)14-19-21(26)22-17-7-2-3-8-18(17)28-19/h2-8,13,19H,9-12,14H2,1H3,(H,22,26)/t19-/m0/s1