2-(2-chloranyl-6-fluoranyl-phenyl)-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]azepan-1-yl]ethanone

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]azepan-1-yl]ethanone Openeye Name: 2-(2-chloro-6-fluoro-phenyl)-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-[4-(1-piperidyl)-1-piperidyl]ethyl]azepan-1-yl]ethanone CAS Name: 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]-1-azepanyl]ethanone IUPAC Name: 2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]azepan-1-yl]ethanone Traditional Name: 2-(2-chloro-6-fluoro-phenyl)-1-[(3S)-3-(3,4-diethoxyphenyl)-3-[2-(4-piperidinopiperidino)ethyl]azepan-1-yl]ethanone Formula: C36H51ClFN3O3 MolecularWeight: 628.259843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2(CCCCN(C2)C(=O)CC3=C(C=CC=C3Cl)F)CCN4CCC(CC4)N5CCCCC5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@]2(CCCCN(C2)C(=O)CC3=C(C=CC=C3Cl)F)CCN4CCC(CC4)N5CCCCC5)OCC

InChI

InChI=1S/C36H51ClFN3O3/c1-3-43-33-14-13-28(25-34(33)44-4-2)36(18-24-39-22-15-29(16-23-39)40-19-7-5-8-20-40)17-6-9-21-41(27-36)35(42)26-30-31(37)11-10-12-32(30)38/h10-14,25,29H,3-9,15-24,26-27H2,1-2H3/t36-/m1/s1