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

Systemtic Name: N-(4-azanylcyclohexyl)-3-[(3-fluorophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(3-fluorobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[[(3-fluorophenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(3-fluorobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-[(3-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(=CC=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(=CC=C5)F

InChI

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