[4-(4-bromanyl-3,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-(4-ethylphenyl)methanone

Systemtic Name: [4-(4-bromanyl-3,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-(4-bromo-3,5-dimethoxy-benzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[(4-bromo-3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-(4-bromo-3,5-dimethoxy-benzoyl)piperazino]-(4-ethylphenyl)methanone Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4/c1-4-15-5-7-16(8-6-15)21(26)24-9-11-25(12-10-24)22(27)17-13-18(28-2)20(23)19(14-17)29-3/h5-8,13-14H,4,9-12H2,1-3H3