N-[2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide Formula: C32H43N5O4 MolecularWeight: 561.71492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C32H43N5O4/c1-41-27-11-8-24(9-12-27)22-30(38)34-28-23-26(32(40)37-18-14-33-15-19-37)10-13-29(28)35-16-5-17-36(21-20-35)31(39)25-6-3-2-4-7-25/h8-13,23,25,33H,2-7,14-22H2,1H3,(H,34,38)