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

Systemtic Name: N-[1-[4,4-bis(4-fluorophenyl)butylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[1-[4,4-bis(4-fluorophenyl)butylcarbamoyl]-2-methyl-butyl]azepane-1-carboxamide CAS Name: N-[1-[4,4-bis(4-fluorophenyl)butylamino]-3-methyl-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[1-[4,4-bis(4-fluorophenyl)butylamino]-3-methyl-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[1-[4,4-bis(4-fluorophenyl)butylcarbamoyl]-2-methyl-butyl]azepane-1-carboxamide Formula: C29H39F2N3O2 MolecularWeight: 499.635666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39F2N3O2/c1-3-21(2)27(33-29(36)34-19-6-4-5-7-20-34)28(35)32-18-8-9-26(22-10-14-24(30)15-11-22)23-12-16-25(31)17-13-23/h10-17,21,26-27H,3-9,18-20H2,1-2H3,(H,32,35)(H,33,36)