2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-4H-1,4-benzoxazin-3-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22ClN3O3/c1-14-6-7-15(22)12-17(14)24-8-10-25(11-9-24)20(26)13-19-21(27)23-16-4-2-3-5-18(16)28-19/h2-7,12,19H,8-11,13H2,1H3,(H,23,27)