4-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N1-(2,2-dimethylpropyl)-N3-phenethyl-benzene-1,3-dicarboxamide

Systemtic Name: 4-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N1-(2,2-dimethylpropyl)-N3-phenethyl-benzene-1,3-dicarboxamide Openeye Name: 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N1-(2,2-dimethylpropyl)-N3-phenethyl-benzene-1,3-dicarboxamide CAS Name: 4-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-N1-(2,2-dimethylpropyl)-N3-phenethylbenzene-1,3-dicarboxamide IUPAC Name: 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-N-(2,2-dimethylpropyl)-3-N-phenethylbenzene-1,3-dicarboxamide Traditional Name: 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-neopentyl-N'-phenethyl-isophthalamide Formula: C32H36FN3O3 MolecularWeight: 529.644943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=C(C=C(C=C2)C(=O)NCC(C)(C)C)C(=O)NCCC3=CC=CC=C3)C(=O)NC4CC4)F

Isomeric SMILES

CC1=C(C=C(C=C1C2=C(C=C(C=C2)C(=O)NCC(C)(C)C)C(=O)NCCC3=CC=CC=C3)C(=O)NC4CC4)F

InChI

InChI=1S/C32H36FN3O3/c1-20-26(17-23(18-28(20)33)30(38)36-24-11-12-24)25-13-10-22(29(37)35-19-32(2,3)4)16-27(25)31(39)34-15-14-21-8-6-5-7-9-21/h5-10,13,16-18,24H,11-12,14-15,19H2,1-4H3,(H,34,39)(H,35,37)(H,36,38)