2-[4-[4-(2-chlorophenyl)-2-oxidanylidene-piperazin-1-yl]butyl]-2-phenyl-indene-1,3-dione

Systemtic Name: 2-[4-[4-(2-chlorophenyl)-2-oxidanylidene-piperazin-1-yl]butyl]-2-phenyl-indene-1,3-dione Openeye Name: 2-[4-[4-(2-chlorophenyl)-2-oxo-piperazin-1-yl]butyl]-2-phenyl-indane-1,3-dione CAS Name: 2-[4-[4-(2-chlorophenyl)-2-oxo-1-piperazinyl]butyl]-2-phenylindene-1,3-dione IUPAC Name: 2-[4-[4-(2-chlorophenyl)-2-oxopiperazin-1-yl]butyl]-2-phenylindene-1,3-dione Traditional Name: 2-[4-[4-(2-chlorophenyl)-2-keto-piperazino]butyl]-2-phenyl-indane-1,3-quinone Formula: C29H27ClN2O3 MolecularWeight: 486.98928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=CC=C2Cl)CCCCC3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=CC=C2Cl)CCCCC3(C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H27ClN2O3/c30-24-14-6-7-15-25(24)32-19-18-31(26(33)20-32)17-9-8-16-29(21-10-2-1-3-11-21)27(34)22-12-4-5-13-23(22)28(29)35/h1-7,10-15H,8-9,16-20H2