6-chloranyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-chloranyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[2-[3-methyl-4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[2-keto-2-[3-methyl-4-(m-tolyl)piperazino]ethyl]-1,3-benzoxazol-2-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C21H22ClN3O3/c1-14-4-3-5-17(10-14)24-9-8-23(12-15(24)2)20(26)13-25-18-7-6-16(22)11-19(18)28-21(25)27/h3-7,10-11,15H,8-9,12-13H2,1-2H3