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

Systemtic Name: 6-chloranyl-4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-chloro-4-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-chloro-4-[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-chloro-4-[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]-1,4-benzoxazin-3-one Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl

InChI

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