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

Systemtic Name: 4-[4-[3-(4-bromanyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-3-methyl-benzaldehyde Openeye Name: 4-[4-[3-(4-bromo-2-methyl-phenoxy)propanoyl]piperazin-1-yl]-3-methyl-benzaldehyde CAS Name: 4-[4-[3-(4-bromo-2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]-3-methylbenzaldehyde IUPAC Name: 4-[4-[3-(4-bromo-2-methylphenoxy)propanoyl]piperazin-1-yl]-3-methylbenzaldehyde Traditional Name: 4-[4-[3-(4-bromo-2-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=C(C=C(C=C3)Br)C

Isomeric SMILES

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

InChI

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