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

Systemtic Name: 4-[4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-2,5-dimethyl-benzaldehyde Openeye Name: 4-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-2,5-dimethyl-benzaldehyde CAS Name: 4-[4-[3-(4-bromo-2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-2,5-dimethylbenzaldehyde IUPAC Name: 4-[4-[3-(4-bromo-2-methylphenoxy)propanoyl]piperazin-1-yl]-2,5-dimethylbenzaldehyde Traditional Name: 4-[4-[3-(4-bromo-2-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=C1C=O)C)N2CCN(CC2)C(=O)CCOC3=C(C=C(C=C3)Br)C

Isomeric SMILES

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

InChI

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