4-bromanyl-N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 4-bromo-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]benzamide CAS Name: 4-bromo-N-[1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxopropan-2-yl]benzamide IUPAC Name: 4-bromo-N-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide Traditional Name: 4-bromo-N-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-1-methyl-ethyl]benzamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C)NC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C)NC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H26BrN3O2/c1-15-5-4-6-20(16(15)2)25-11-13-26(14-12-25)22(28)17(3)24-21(27)18-7-9-19(23)10-8-18/h4-10,17H,11-14H2,1-3H3,(H,24,27)