N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]-3-[(4-fluorophenyl)carbonylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]-3-[(4-fluorophenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]-3-[[(4-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(6-chloronicotinoyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide Formula: C31H34ClFN6O3 MolecularWeight: 593.091463

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H34ClFN6O3/c32-28-13-5-22(19-35-28)31(42)39-15-1-14-38(16-17-39)27-12-4-21(30(41)36-25-10-8-24(34)9-11-25)18-26(27)37-29(40)20-2-6-23(33)7-3-20/h2-7,12-13,18-19,24-25H,1,8-11,14-17,34H2,(H,36,41)(H,37,40)