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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39F2N3O2/c1-21(2)20-27(33-29(36)34-18-5-3-4-6-19-34)28(35)32-17-7-8-26(22-9-13-24(30)14-10-22)23-11-15-25(31)16-12-23/h9-16,21,26-27H,3-8,17-20H2,1-2H3,(H,32,35)(H,33,36)