N-(4-azanylcyclohexyl)-3-[[3,4-bis(fluoranyl)phenyl]carbonylamino]-4-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[[3,4-bis(fluoranyl)phenyl]carbonylamino]-4-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-3-[(3,4-difluorobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(4-cyanophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-[[(3,4-difluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-3-[(3,4-difluorobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-3-[(3,4-difluorobenzoyl)amino]benzamide Formula: C33H34F2N6O3 MolecularWeight: 600.658266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC(=C(C=C5)F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C33H34F2N6O3/c34-27-12-6-23(18-28(27)35)32(43)39-29-19-24(31(42)38-26-10-8-25(37)9-11-26)7-13-30(29)40-14-1-15-41(17-16-40)33(44)22-4-2-21(20-36)3-5-22/h2-7,12-13,18-19,25-26H,1,8-11,14-17,37H2,(H,38,42)(H,39,43)