[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-(4-ethylphenyl)methanone

Systemtic Name: [4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-(2-bromo-5-methoxy-benzoyl)piperazino]-(4-ethylphenyl)methanone Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)OC)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)OC)Br

InChI

InChI=1S/C21H23BrN2O3/c1-3-15-4-6-16(7-5-15)20(25)23-10-12-24(13-11-23)21(26)18-14-17(27-2)8-9-19(18)22/h4-9,14H,3,10-13H2,1-2H3