N-[1-[4,4-bis(4-fluorophenyl)butylamino]-3-methyl-1-oxidanylidene-butan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[1-[4,4-bis(4-fluorophenyl)butylamino]-3-methyl-1-oxidanylidene-butan-2-yl]azepane-1-carboxamide Openeye Name: N-[1-[4,4-bis(4-fluorophenyl)butylcarbamoyl]-2-methyl-propyl]azepane-1-carboxamide CAS Name: N-[1-[4,4-bis(4-fluorophenyl)butylamino]-3-methyl-1-oxobutan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[1-[4,4-bis(4-fluorophenyl)butylamino]-3-methyl-1-oxobutan-2-yl]azepane-1-carboxamide Traditional Name: N-[1-[4,4-bis(4-fluorophenyl)butylcarbamoyl]-2-methyl-propyl]azepane-1-carboxamide Formula: C28H37F2N3O2 MolecularWeight: 485.609086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)NC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C(C(=O)NCCCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)NC(=O)N3CCCCCC3

InChI

InChI=1S/C28H37F2N3O2/c1-20(2)26(32-28(35)33-18-5-3-4-6-19-33)27(34)31-17-7-8-25(21-9-13-23(29)14-10-21)22-11-15-24(30)16-12-22/h9-16,20,25-26H,3-8,17-19H2,1-2H3,(H,31,34)(H,32,35)