N-(4-azanylcyclohexyl)-3-[(4-fluorophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(4-fluorophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(4-fluorobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(4-fluorophenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(4-fluorobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(4-fluorobenzoyl)amino]-4-(4-nicotinoyl-1,4-diazepan-1-yl)benzamide Formula: C31H35FN6O3 MolecularWeight: 558.646403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35FN6O3/c32-24-7-4-21(5-8-24)29(39)36-27-19-22(30(40)35-26-11-9-25(33)10-12-26)6-13-28(27)37-15-2-16-38(18-17-37)31(41)23-3-1-14-34-20-23/h1,3-8,13-14,19-20,25-26H,2,9-12,15-18,33H2,(H,35,40)(H,36,39)