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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[[4-(3,4-dimethylphenyl)-1-piperazinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[[4-(3,4-dimethylphenyl)piperazino]methyl]-4H-1,4-benzoxazin-3-one Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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