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

Systemtic Name: 4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-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)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN3C(=O)COC4=CC=CC=C43

InChI

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