4-[4-[3-(4-bromanyl-3-methyl-phenoxy)propanoyl]piperazin-1-yl]-2,5-dimethyl-benzaldehyde

Systemtic Name: 4-[4-[3-(4-bromanyl-3-methyl-phenoxy)propanoyl]piperazin-1-yl]-2,5-dimethyl-benzaldehyde Openeye Name: 4-[4-[3-(4-bromo-3-methyl-phenoxy)propanoyl]piperazin-1-yl]-2,5-dimethyl-benzaldehyde CAS Name: 4-[4-[3-(4-bromo-3-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-2,5-dimethylbenzaldehyde IUPAC Name: 4-[4-[3-(4-bromo-3-methylphenoxy)propanoyl]piperazin-1-yl]-2,5-dimethylbenzaldehyde Traditional Name: 4-[4-[3-(4-bromo-3-methyl-phenoxy)propanoyl]piperazino]-2,5-dimethyl-benzaldehyde Formula: C23H27BrN2O3 MolecularWeight: 459.37608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=O)C)N2CCN(CC2)C(=O)CCOC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1C=O)C)N2CCN(CC2)C(=O)CCOC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C23H27BrN2O3/c1-16-14-22(18(3)12-19(16)15-27)25-7-9-26(10-8-25)23(28)6-11-29-20-4-5-21(24)17(2)13-20/h4-5,12-15H,6-11H2,1-3H3