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

Systemtic Name: 4-[4-[3-(2-bromanyl-4-methyl-phenoxy)propanoyl]piperazin-1-yl]-3-methyl-benzaldehyde Openeye Name: 4-[4-[3-(2-bromo-4-methyl-phenoxy)propanoyl]piperazin-1-yl]-3-methyl-benzaldehyde CAS Name: 4-[4-[3-(2-bromo-4-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-3-methylbenzaldehyde IUPAC Name: 4-[4-[3-(2-bromo-4-methylphenoxy)propanoyl]piperazin-1-yl]-3-methylbenzaldehyde Traditional Name: 4-[4-[3-(2-bromo-4-methyl-phenoxy)propanoyl]piperazino]-3-methyl-benzaldehyde Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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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=O)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O3/c1-16-3-6-21(19(23)13-16)28-12-7-22(27)25-10-8-24(9-11-25)20-5-4-18(15-26)14-17(20)2/h3-6,13-15H,7-12H2,1-2H3