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

Systemtic Name: 4-[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-4-oxo-butyl]-6-methyl-1,4-benzoxazin-3-one CAS Name: 4-[4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-4-oxobutyl]-6-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl]-6-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[4-[4-(5-chloro-2-methyl-phenyl)piperazino]-4-keto-butyl]-6-methyl-1,4-benzoxazin-3-one Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C24H28ClN3O3/c1-17-5-8-22-21(14-17)28(24(30)16-31-22)9-3-4-23(29)27-12-10-26(11-13-27)20-15-19(25)7-6-18(20)2/h5-8,14-15H,3-4,9-13,16H2,1-2H3