1-[(2S)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-piperazin-1-yl]-2-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]ethanone

Systemtic Name: 1-[(2S)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-piperazin-1-yl]-2-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]ethanone Openeye Name: 1-[(2S)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-[[8-[(3,5-dimethylisoxazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]ethanone CAS Name: 1-[(2S)-2-(3,4-dichlorophenyl)-4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]-2-[[8-[(3,5-dimethyl-4-isoxazolyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]ethanone IUPAC Name: 1-[(2S)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]ethanone Traditional Name: 1-[(2S)-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazino]-2-[[8-[(3,5-dimethylisoxazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]ethanone Formula: C34H40Cl2N4O4 MolecularWeight: 639.6118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)COC4CC5CCC(C4)N5CC6=C(ON=C6C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN([C@H](C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)COC4CC5CCC(C4)N5CC6=C(ON=C6C)C)C

InChI

InChI=1S/C34H40Cl2N4O4/c1-20-11-21(2)13-25(12-20)34(42)38-9-10-39(32(18-38)24-5-8-30(35)31(36)14-24)33(41)19-43-28-15-26-6-7-27(16-28)40(26)17-29-22(3)37-44-23(29)4/h5,8,11-14,26-28,32H,6-7,9-10,15-19H2,1-4H3/t26?,27?,28?,32-/m1/s1