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

Systemtic Name: 4-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-keto-propyl]-1,4-benzoxazin-3-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)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

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