2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(3,4-diethoxyphenyl)azepan-1-yl]ethanone

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(3,4-diethoxyphenyl)azepan-1-yl]ethanone Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(3,4-diethoxyphenyl)azepan-1-yl]ethanone CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-[2-(4-cyclohexyl-1-piperazinyl)ethyl]-3-(3,4-diethoxyphenyl)-1-azepanyl]ethanone IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(3,4-diethoxyphenyl)azepan-1-yl]ethanone Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-[2-(4-cyclohexylpiperazino)ethyl]-3-(3,4-diethoxyphenyl)azepan-1-yl]ethanone Formula: C38H51F6N3O3 MolecularWeight: 711.820259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2(CCCCN(C2)C(=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCN4CCN(CC4)C5CCCCC5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@]2(CCCCN(C2)C(=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCN4CCN(CC4)C5CCCCC5)OCC

InChI

InChI=1S/C38H51F6N3O3/c1-3-49-33-13-12-29(26-34(33)50-4-2)36(15-17-45-18-20-46(21-19-45)32-10-6-5-7-11-32)14-8-9-16-47(27-36)35(48)24-28-22-30(37(39,40)41)25-31(23-28)38(42,43)44/h12-13,22-23,25-26,32H,3-11,14-21,24,27H2,1-2H3/t36-/m1/s1