1-(azepan-1-yl)-2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[2-(4-tert-butylcyclohexyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazino]ethanone Formula: C28H45N3O MolecularWeight: 439.6764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C28H45N3O/c1-28(2,3)24-14-12-23(13-15-24)25-10-6-7-11-26(25)30-20-18-29(19-21-30)22-27(32)31-16-8-4-5-9-17-31/h6-7,10-11,23-24H,4-5,8-9,12-22H2,1-3H3