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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=O)N2CCN(CC2)C(=O)CCOC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=CC(=C1)C=O)N2CCN(CC2)C(=O)CCOC3=CC(=C(C=C3)Br)C

InChI

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