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

Systemtic Name: (2S)-2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[2-keto-2-(4-o-phenetylpiperazino)ethyl]-4H-1,4-benzoxazin-3-one Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C[C@H]3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O4/c1-2-28-19-10-6-4-8-17(19)24-11-13-25(14-12-24)21(26)15-20-22(27)23-16-7-3-5-9-18(16)29-20/h3-10,20H,2,11-15H2,1H3,(H,23,27)/t20-/m0/s1