2-(2-bromanyl-4-ethyl-phenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(2-bromo-4-ethyl-phenoxy)ethanone CAS Name: 2-(2-bromo-4-ethylphenoxy)-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(2-bromo-4-ethylphenoxy)ethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-(2-bromo-4-ethyl-phenoxy)ethanone Formula: C27H29BrN2O2 MolecularWeight: 493.43536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C27H29BrN2O2/c1-2-21-13-14-25(24(28)19-21)32-20-26(31)29-15-17-30(18-16-29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,27H,2,15-18,20H2,1H3