4-[(3-chlorophenyl)methyl]-2,2-dimethyl-8-piperazin-1-yl-1,4-benzoxazin-3-one

Systemtic Name: 4-[(3-chlorophenyl)methyl]-2,2-dimethyl-8-piperazin-1-yl-1,4-benzoxazin-3-one Openeye Name: 4-[(3-chlorophenyl)methyl]-2,2-dimethyl-8-piperazin-1-yl-1,4-benzoxazin-3-one CAS Name: 4-[(3-chlorophenyl)methyl]-2,2-dimethyl-8-(1-piperazinyl)-1,4-benzoxazin-3-one IUPAC Name: 4-[(3-chlorophenyl)methyl]-2,2-dimethyl-8-piperazin-1-yl-1,4-benzoxazin-3-one Traditional Name: 4-(3-chlorobenzyl)-2,2-dimethyl-8-piperazino-1,4-benzoxazin-3-one Formula: C21H24ClN3O2 MolecularWeight: 385.88716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C(=CC=C2)N3CCNCC3)CC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C(=CC=C2)N3CCNCC3)CC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C21H24ClN3O2/c1-21(2)20(26)25(14-15-5-3-6-16(22)13-15)18-8-4-7-17(19(18)27-21)24-11-9-23-10-12-24/h3-8,13,23H,9-12,14H2,1-2H3