[1-[5-[3-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-piperazin-1-yl]-3-oxidanylidene-propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamic acid

Systemtic Name: [1-[5-[3-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-piperazin-1-yl]-3-oxidanylidene-propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-carbamic acid Openeye Name: [1-benzyl-2-[5-[3-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-3-oxo-propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxo-ethyl]-methyl-carbamic acid CAS Name: [1-[5-[3-[2-(3,4-dichlorophenyl)-4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]-3-oxopropyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid IUPAC Name: [1-[5-[3-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-3-oxopropyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid Traditional Name: [1-benzyl-2-[5-[3-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazino]-3-keto-propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-keto-ethyl]-methyl-carbamic acid Formula: C38H43Cl2N5O5 MolecularWeight: 720.68452

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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)CCN4CC5CC4CN5C(=O)C(CC6=CC=CC=C6)N(C)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CCN4CC5CC4CN5C(=O)C(CC6=CC=CC=C6)N(C)C(=O)O)C

InChI

InChI=1S/C38H43Cl2N5O5/c1-24-15-25(2)17-28(16-24)36(47)43-13-14-44(34(23-43)27-9-10-31(39)32(40)19-27)35(46)11-12-42-21-30-20-29(42)22-45(30)37(48)33(41(3)38(49)50)18-26-7-5-4-6-8-26/h4-10,15-17,19,29-30,33-34H,11-14,18,20-23H2,1-3H3,(H,49,50)