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

Systemtic Name: 2-(4-methoxyphenyl)-N-[2-[4-(2-phenylethanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]ethanamide Openeye Name: 2-(4-methoxyphenyl)-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]acetamide CAS Name: 2-(4-methoxyphenyl)-N-[2-[4-(1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]acetamide Traditional Name: 2-(4-methoxyphenyl)-N-[2-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]acetamide Formula: C33H39N5O4 MolecularWeight: 569.69386

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)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C33H39N5O4/c1-42-28-11-8-26(9-12-28)22-31(39)35-29-24-27(33(41)38-18-14-34-15-19-38)10-13-30(29)36-16-5-17-37(21-20-36)32(40)23-25-6-3-2-4-7-25/h2-4,6-13,24,34H,5,14-23H2,1H3,(H,35,39)