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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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