N-(4-azanylcyclohexyl)-3-(2-phenylethanoylamino)-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-(2-phenylethanoylamino)-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)benzamide Openeye Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-[(1-oxo-2-phenylethyl)amino]-4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-[(2-phenylacetyl)amino]-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-(4-nicotinoyl-1,4-diazepan-1-yl)-3-[(2-phenylacetyl)amino]benzamide Formula: C32H38N6O3 MolecularWeight: 554.68252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=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=CN=CC=C2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C32H38N6O3/c33-26-10-12-27(13-11-26)35-31(40)24-9-14-29(28(21-24)36-30(39)20-23-6-2-1-3-7-23)37-16-5-17-38(19-18-37)32(41)25-8-4-15-34-22-25/h1-4,6-9,14-15,21-22,26-27H,5,10-13,16-20,33H2,(H,35,40)(H,36,39)