6-[[4-(3,5-dimethylphenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[[4-(3,5-dimethylphenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[4-(3,5-dimethylphenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[4-(3,5-dimethylphenyl)-1-piperazinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[4-(3,5-dimethylphenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[4-(3,5-dimethylphenyl)piperazino]methyl]-4H-1,4-benzoxazin-3-one Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-15-9-16(2)11-18(10-15)24-7-5-23(6-8-24)13-17-3-4-20-19(12-17)22-21(25)14-26-20/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,22,25)