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

Systemtic Name: 4-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N1-(2,2-dimethylpropyl)-N3-propyl-benzene-1,3-dicarboxamide Openeye Name: 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N1-(2,2-dimethylpropyl)-N3-propyl-benzene-1,3-dicarboxamide CAS Name: 4-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-N1-(2,2-dimethylpropyl)-N3-propylbenzene-1,3-dicarboxamide IUPAC Name: 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-N-(2,2-dimethylpropyl)-3-N-propylbenzene-1,3-dicarboxamide Traditional Name: 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-neopentyl-N'-propyl-isophthalamide Formula: C27H34FN3O3 MolecularWeight: 467.575563

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)(C)C)C2=CC(=CC(=C2C)F)C(=O)NC3CC3

Isomeric SMILES

CCCNC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)(C)C)C2=CC(=CC(=C2C)F)C(=O)NC3CC3

InChI

InChI=1S/C27H34FN3O3/c1-6-11-29-26(34)22-12-17(24(32)30-15-27(3,4)5)7-10-20(22)21-13-18(14-23(28)16(21)2)25(33)31-19-8-9-19/h7,10,12-14,19H,6,8-9,11,15H2,1-5H3,(H,29,34)(H,30,32)(H,31,33)