1-[3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)azepan-1-yl]ethanone

Systemtic Name: 1-[3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)azepan-1-yl]ethanone Openeye Name: 1-[3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-(3-isopropoxyphenyl)azepan-1-yl]ethanone CAS Name: 1-[3-[2-(4-cyclohexyl-1-piperazinyl)ethyl]-2-(3-propan-2-yloxyphenyl)-1-azepanyl]ethanone IUPAC Name: 1-[3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)azepan-1-yl]ethanone Traditional Name: 1-[3-[2-(4-cyclohexylpiperazino)ethyl]-2-(3-isopropoxyphenyl)azepan-1-yl]ethanone Formula: C29H47N3O2 MolecularWeight: 469.70238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2C(CCCCN2C(=O)C)CCN3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2C(CCCCN2C(=O)C)CCN3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C29H47N3O2/c1-23(2)34-28-14-9-11-26(22-28)29-25(10-7-8-16-32(29)24(3)33)15-17-30-18-20-31(21-19-30)27-12-5-4-6-13-27/h9,11,14,22-23,25,27,29H,4-8,10,12-13,15-21H2,1-3H3