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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CCN(CC2)C(=O)CCOC3=CC(=C(C=C3)Br)C)C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1N2CCN(CC2)C(=O)CCOC3=CC(=C(C=C3)Br)C)C)C=O

InChI

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