N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(6-chloronicotinoyl)piperazino]-3-[(2-phenylacetyl)amino]benzamide Formula: C31H35ClN6O3 MolecularWeight: 575.101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=C(C=C4)Cl)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=C(C=C4)Cl)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H35ClN6O3/c32-28-13-7-23(20-34-28)31(41)38-16-14-37(15-17-38)27-12-6-22(30(40)35-25-10-8-24(33)9-11-25)19-26(27)36-29(39)18-21-4-2-1-3-5-21/h1-7,12-13,19-20,24-25H,8-11,14-18,33H2,(H,35,40)(H,36,39)