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

Systemtic Name: N-[2-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-2-(4-methoxyphenyl)acetamide Formula: C33H36N6O4 MolecularWeight: 580.67674

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)C5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H36N6O4/c1-43-28-10-5-24(6-11-28)21-31(40)36-29-22-27(33(42)39-17-13-35-14-18-39)9-12-30(29)37-15-2-16-38(20-19-37)32(41)26-7-3-25(23-34)4-8-26/h3-12,22,35H,2,13-21H2,1H3,(H,36,40)