[4-[(3R,5R)-4-[[4-[3,5-bis(chloranyl)phenyl]phenyl]methyl]-3,5-dimethyl-piperazin-1-yl]piperidin-1-yl]-[3-(cyclopropylmethoxy)thiophen-2-yl]methanone

Systemtic Name: [4-[(3R,5R)-4-[[4-[3,5-bis(chloranyl)phenyl]phenyl]methyl]-3,5-dimethyl-piperazin-1-yl]piperidin-1-yl]-[3-(cyclopropylmethoxy)thiophen-2-yl]methanone Openeye Name: [3-(cyclopropylmethoxy)-2-thienyl]-[4-[(3R,5R)-4-[[4-(3,5-dichlorophenyl)phenyl]methyl]-3,5-dimethyl-piperazin-1-yl]-1-piperidyl]methanone CAS Name: [3-(cyclopropylmethoxy)-2-thiophenyl]-[4-[(3R,5R)-4-[[4-(3,5-dichlorophenyl)phenyl]methyl]-3,5-dimethyl-1-piperazinyl]-1-piperidinyl]methanone IUPAC Name: [3-(cyclopropylmethoxy)thiophen-2-yl]-[4-[(3R,5R)-4-[[4-(3,5-dichlorophenyl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]piperidin-1-yl]methanone Traditional Name: [3-(cyclopropylmethoxy)-2-thienyl]-[4-[(3R,5R)-4-[4-(3,5-dichlorophenyl)benzyl]-3,5-dimethyl-piperazino]piperidino]methanone Formula: C33H39Cl2N3O2S MolecularWeight: 612.65266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1CC2=CC=C(C=C2)C3=CC(=CC(=C3)Cl)Cl)C)C4CCN(CC4)C(=O)C5=C(C=CS5)OCC6CC6

Isomeric SMILES

C[C@@H]1CN(C[C@H](N1CC2=CC=C(C=C2)C3=CC(=CC(=C3)Cl)Cl)C)C4CCN(CC4)C(=O)C5=C(C=CS5)OCC6CC6

InChI

InChI=1S/C33H39Cl2N3O2S/c1-22-18-37(30-9-12-36(13-10-30)33(39)32-31(11-14-41-32)40-21-25-3-4-25)19-23(2)38(22)20-24-5-7-26(8-6-24)27-15-28(34)17-29(35)16-27/h5-8,11,14-17,22-23,25,30H,3-4,9-10,12-13,18-21H2,1-2H3/t22-,23-/m1/s1