N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxy-benzamide CAS Name: N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxybenzamide Traditional Name: N-[3-chloro-2-(4-isobutyrylpiperazino)phenyl]-3,4,5-triethoxy-benzamide Formula: C27H36ClN3O5 MolecularWeight: 518.04484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C27H36ClN3O5/c1-6-34-22-16-19(17-23(35-7-2)25(22)36-8-3)26(32)29-21-11-9-10-20(28)24(21)30-12-14-31(15-13-30)27(33)18(4)5/h9-11,16-18H,6-8,12-15H2,1-5H3,(H,29,32)