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

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-[(2-phenylacetyl)amino]benzamide Formula: C31H42N6O4 MolecularWeight: 562.70298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H42N6O4/c32-25-8-10-26(11-9-25)33-30(39)24-7-12-28(27(22-24)34-29(38)21-23-5-2-1-3-6-23)35-13-4-14-36(16-15-35)31(40)37-17-19-41-20-18-37/h1-3,5-7,12,22,25-26H,4,8-11,13-21,32H2,(H,33,39)(H,34,38)