2-(4-bromanyl-2,6-dimethyl-phenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromo-2,6-dimethyl-phenoxy)ethanone CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromo-2,6-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-(4-bromo-2,6-dimethyl-phenoxy)ethanone Formula: C27H29BrN2O2 MolecularWeight: 493.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C)Br

InChI

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