2-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]carbonyl]-N,N-diethyl-3,6-bis(fluoranyl)benzamide

Systemtic Name: 2-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]carbonyl]-N,N-diethyl-3,6-bis(fluoranyl)benzamide Openeye Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1,4-diazepane-1-carbonyl]-N,N-diethyl-3,6-difluoro-benzamide CAS Name: 2-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepan-1-yl]-oxomethyl]-N,N-diethyl-3,6-difluorobenzamide IUPAC Name: 2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carbonyl]-N,N-diethyl-3,6-difluorobenzamide Traditional Name: 2-[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-1,4-diazepane-1-carbonyl]-N,N-diethyl-3,6-difluoro-benzamide Formula: C27H34F2N4O3 MolecularWeight: 500.580666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=CC(=C1C(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CC=C3C)C)F)F

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=CC(=C1C(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CC=C3C)C)F)F

InChI

InChI=1S/C27H34F2N4O3/c1-5-32(6-2)26(35)23-20(28)11-12-21(29)24(23)27(36)33-14-8-13-31(15-16-33)17-22(34)30-25-18(3)9-7-10-19(25)4/h7,9-12H,5-6,8,13-17H2,1-4H3,(H,30,34)