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

Systemtic Name: 6-tert-butyl-4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-tert-butyl-4-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-tert-butyl-4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H30ClN3O3/c1-17-5-7-19(26)14-20(17)27-9-11-28(12-10-27)23(30)15-29-21-13-18(25(2,3)4)6-8-22(21)32-16-24(29)31/h5-8,13-14H,9-12,15-16H2,1-4H3