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

Systemtic Name: 3-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-4-oxo-butyl]-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-4-oxobutyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-[4-(5-chloro-2-methyl-phenyl)piperazino]-4-keto-butyl]-1,3-benzoxazol-2-one Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H24ClN3O3/c1-16-8-9-17(23)15-19(16)24-11-13-25(14-12-24)21(27)7-4-10-26-18-5-2-3-6-20(18)29-22(26)28/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3