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

Systemtic Name: 6-[[4-(2-chloranyl-4-methyl-phenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[4-(2-chloro-4-methyl-phenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[4-(2-chloro-4-methylphenyl)-1-piperazinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[4-(2-chloro-4-methylphenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[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)CC3=CC4=C(C=C3)OCC(=O)N4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCC(=O)N4)Cl

InChI

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