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

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]azepan-1-yl]ethanone Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-[4-(1-piperidyl)-1-piperidyl]ethyl]azepan-1-yl]ethanone CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]-1-azepanyl]ethanone IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]azepan-1-yl]ethanone Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-(4-piperidinopiperidino)ethyl]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)CCN4CCC(CC4)N5CCCCC5)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)CCN4CCC(CC4)N5CCCCC5)OCC

InChI

InChI=1S/C38H51F6N3O3/c1-3-49-33-11-10-29(26-34(33)50-4-2)36(15-21-45-19-12-32(13-20-45)46-16-7-5-8-17-46)14-6-9-18-47(27-36)35(48)24-28-22-30(37(39,40)41)25-31(23-28)38(42,43)44/h10-11,22-23,25-26,32H,3-9,12-21,24,27H2,1-2H3/t36-/m1/s1