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

Systemtic Name: N-(4-azanylcyclohexyl)-3-benzamido-4-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]benzamide Formula: C32H36FN5O3 MolecularWeight: 557.658343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H36FN5O3/c33-25-10-7-23(8-11-25)32(41)38-18-4-17-37(19-20-38)29-16-9-24(31(40)35-27-14-12-26(34)13-15-27)21-28(29)36-30(39)22-5-2-1-3-6-22/h1-3,5-11,16,21,26-27H,4,12-15,17-20,34H2,(H,35,40)(H,36,39)