N-[4-[[5-[[2-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-piperazin-1-yl]-2-oxidanylidene-ethyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[5-[[2-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-piperazin-1-yl]-2-oxidanylidene-ethyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[5-[[2-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-oxo-ethyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[5-[[2-[2-(3,4-dichlorophenyl)-4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]-2-oxoethyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[5-[[2-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-2-oxoethyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[5-[[2-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazino]-2-keto-ethyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]acetamide Formula: C36H41Cl2N5O3 MolecularWeight: 662.64844

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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)CNC4CC5CC4CN5CC6=CC=C(C=C6)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CNC4CC5CC4CN5CC6=CC=C(C=C6)NC(=O)C)C

InChI

InChI=1S/C36H41Cl2N5O3/c1-22-12-23(2)14-27(13-22)36(46)41-10-11-43(34(21-41)26-6-9-31(37)32(38)16-26)35(45)18-39-33-17-30-15-28(33)20-42(30)19-25-4-7-29(8-5-25)40-24(3)44/h4-9,12-14,16,28,30,33-34,39H,10-11,15,17-21H2,1-3H3,(H,40,44)