1-[2-[[2,6-bis(chloranyl)-4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide

Systemtic Name: 1-[2-[[2,6-bis(chloranyl)-4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide Openeye Name: 4-[5,5-bis(4-fluorophenyl)pentyl]-1-[2-[2,6-dichloro-4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl]piperazine-2-carboxamide CAS Name: 4-[5,5-bis(4-fluorophenyl)pentyl]-1-[2-[2,6-dichloro-4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl]-2-piperazinecarboxamide IUPAC Name: 4-[5,5-bis(4-fluorophenyl)pentyl]-1-[2-[2,6-dichloro-4-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperazine-2-carboxamide Traditional Name: 4-[5,5-bis(4-fluorophenyl)pentyl]-1-[2-[2,6-dichloro-4-(dimethylcarbamoyl)anilino]-2-keto-ethyl]piperazine-2-carboxamide Formula: C33H37Cl2F2N5O3 MolecularWeight: 660.581386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=C(C(=C1)Cl)NC(=O)CN2CCN(CC2C(=O)N)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CN(C)C(=O)C1=CC(=C(C(=C1)Cl)NC(=O)CN2CCN(CC2C(=O)N)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C33H37Cl2F2N5O3/c1-40(2)33(45)23-17-27(34)31(28(35)18-23)39-30(43)20-42-16-15-41(19-29(42)32(38)44)14-4-3-5-26(21-6-10-24(36)11-7-21)22-8-12-25(37)13-9-22/h6-13,17-18,26,29H,3-5,14-16,19-20H2,1-2H3,(H2,38,44)(H,39,43)