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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H35FN6O3/c32-24-5-2-21(3-6-24)29(39)36-27-20-23(30(40)35-26-9-7-25(33)8-10-26)4-11-28(27)37-16-1-17-38(19-18-37)31(41)22-12-14-34-15-13-22/h2-6,11-15,20,25-26H,1,7-10,16-19,33H2,(H,35,40)(H,36,39)