N-(4-azanylcyclohexyl)-3-benzamido-4-[4-(6-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-benzamido-4-[4-(6-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(6-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-benzamido-4-[4-(6-chloronicotinoyl)-1,4-diazepan-1-yl]benzamide Formula: C31H35ClN6O3 MolecularWeight: 575.101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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