2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-(3,4-dichlorophenyl)-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-dichlorophenyl)-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-dichlorophenyl)-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-dichlorophenyl)-3-[2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]-1-azepanyl]ethanone IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-1-[(3S)-3-(3,4-dichlorophenyl)-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-dichlorophenyl)-3-[2-(4-piperidinopiperidino)ethyl]azepan-1-yl]ethanone Formula: C34H41Cl2F6N3O MolecularWeight: 692.605259

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CCC3(CCCCN(C3)C(=O)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CC[C@@]3(CCCCN(C3)C(=O)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C34H41Cl2F6N3O/c35-29-7-6-25(22-30(29)36)32(11-17-43-15-8-28(9-16-43)44-12-3-1-4-13-44)10-2-5-14-45(23-32)31(46)20-24-18-26(33(37,38)39)21-27(19-24)34(40,41)42/h6-7,18-19,21-22,28H,1-5,8-17,20,23H2/t32-/m1/s1