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

Systemtic Name: 2-[[4-(2-chloranyl-4-methyl-phenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[[4-(2-chloro-4-methyl-phenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[[4-(2-chloro-4-methylphenyl)-1-piperazinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[[4-(2-chloro-4-methylphenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[[4-(2-chloro-4-methyl-phenyl)piperazino]methyl]-4H-1,4-benzoxazin-3-one Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)CC3C(=O)NC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)CC3C(=O)NC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C20H22ClN3O2/c1-14-6-7-17(15(21)12-14)24-10-8-23(9-11-24)13-19-20(25)22-16-4-2-3-5-18(16)26-19/h2-7,12,19H,8-11,13H2,1H3,(H,22,25)