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

Systemtic Name: N-(4-azanylcyclohexyl)-3-benzamido-4-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)benzamide CAS Name: N-(4-aminocyclohexyl)-3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)benzamide Traditional Name: N-(4-aminocyclohexyl)-3-benzamido-4-(4-benzoyl-1,4-diazepan-1-yl)benzamide Formula: C32H37N5O3 MolecularWeight: 539.66788

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H37N5O3/c33-26-13-15-27(16-14-26)34-31(39)25-12-17-29(28(22-25)35-30(38)23-8-3-1-4-9-23)36-18-7-19-37(21-20-36)32(40)24-10-5-2-6-11-24/h1-6,8-12,17,22,26-27H,7,13-16,18-21,33H2,(H,34,39)(H,35,38)