N-(4-azanylcyclohexyl)-4-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]-3-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)-3-[(2-phenylacetyl)amino]benzamide Formula: C33H39N5O3 MolecularWeight: 553.69446

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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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C33H39N5O3/c34-27-13-15-28(16-14-27)35-32(40)26-12-17-30(29(23-26)36-31(39)22-24-8-3-1-4-9-24)37-18-7-19-38(21-20-37)33(41)25-10-5-2-6-11-25/h1-6,8-12,17,23,27-28H,7,13-16,18-22,34H2,(H,35,40)(H,36,39)