4-tert-butyl-5-[3-[2-(3,4-dichlorophenyl)-4-(2,3-dimethylphenyl)carbonyl-piperazin-1-yl]-3-oxidanylidene-propyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: 4-tert-butyl-5-[3-[2-(3,4-dichlorophenyl)-4-(2,3-dimethylphenyl)carbonyl-piperazin-1-yl]-3-oxidanylidene-propyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: 4-tert-butyl-5-[3-[2-(3,4-dichlorophenyl)-4-(2,3-dimethylbenzoyl)piperazin-1-yl]-3-oxo-propyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: 4-tert-butyl-5-[3-[2-(3,4-dichlorophenyl)-4-[(2,3-dimethylphenyl)-oxomethyl]-1-piperazinyl]-3-oxopropyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate IUPAC Name: 4-tert-butyl-5-[3-[2-(3,4-dichlorophenyl)-4-(2,3-dimethylbenzoyl)piperazin-1-yl]-3-oxopropyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: 4-tert-butyl-5-[3-[2-(3,4-dichlorophenyl)-4-(2,3-dimethylbenzoyl)piperazino]-3-keto-propyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Formula: C32H39Cl2N4O4- MolecularWeight: 614.58246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)N2CCN(C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CCN4CC5CC4(CN5C(=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)N2CCN(C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CCN4CC5CC4(CN5C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C32H40Cl2N4O4/c1-20-7-6-8-24(21(20)2)29(40)35-13-14-37(27(18-35)22-9-10-25(33)26(34)15-22)28(39)11-12-36-17-23-16-32(36,31(3,4)5)19-38(23)30(41)42/h6-10,15,23,27H,11-14,16-19H2,1-5H3,(H,41,42)/p-1