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

Systemtic Name: N-(4-azanylcyclohexyl)-3-benzamido-4-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-[(4-cyanophenyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]benzamide Formula: C33H36N6O3 MolecularWeight: 564.67734

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H36N6O3/c34-22-23-7-9-25(10-8-23)33(42)39-18-4-17-38(19-20-39)30-16-11-26(32(41)36-28-14-12-27(35)13-15-28)21-29(30)37-31(40)24-5-2-1-3-6-24/h1-3,5-11,16,21,27-28H,4,12-15,17-20,35H2,(H,36,41)(H,37,40)